SCHEMBL4022975

SCHEMBL4022975

COC(=O)Cc1cccc2cnccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 12/20 0.58
MAPK10 P53779 12/20 0.58
MAPK9 P45984 10/20 0.58
ROS1 P08922 1/20 0.56
RPS6KB1 P23443 1/20 0.56
GLS O94925 1/20 0.51
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51
PRKCA P17252 1/20 0.51
PRKACA P17612 1/20 0.51
PRKACG P22612 1/20 0.51
PRKACB P22694 1/20 0.51
PRKCH P24723 1/20 0.51
PRKCI P41743 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCZ Q05513 1/20 0.51
PRKCD Q05655 1/20 0.51
PRKD1 Q15139 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL3941138 0.99 MAPK8 (0.57) MAPK8MAPK10MAPK9ROS1RPS6KB1
SCHEMBL4021165 0.86 ROS1 (0.51) MAPK8MAPK10MAPK9ROS1RPS6KB1
SCHEMBL17687045 0.85 ROS1 (0.50) MAPK8MAPK10MAPK9ROS1RPS6KB1
Hydrochloric Acid SCHEMBL28231605 0.81 L3MBTL1 (0.64) MAPK8MAPK10MAPK9ALDH1A1L3MBTL1
SCHEMBL837578 0.81 TDP1 (0.64) MAPK8MAPK10MAPK9ROS1RPS6KB1
SCHEMBL30636331 0.81 TDP1 (0.64) MAPK8MAPK10MAPK9ROS1RPS6KB1
Pyridine SCHEMBL28203867 0.81 L3MBTL1 (0.57) MAPK8MAPK10MAPK9ALDH1A1L3MBTL1
SCHEMBL29503119 0.81 L3MBTL1 (0.68) MAPK8MAPK10MAPK9L3MBTL1TDP1
SCHEMBL709403 0.81 L3MBTL1 (0.68) MAPK8MAPK10MAPK9L3MBTL1TDP1
SCHEMBL3785081 0.80 ROS1 (0.56) MAPK8MAPK10MAPK9ROS1RPS6KB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247413-B2 e.g. N-[2-(3-fluorophenyl)ethyl]-N'-isoquinolin-5-ylurea; opioid receptor inhibitor; analgesic, antiinflammatory agent; inflammatory thermal hyperalgesia, urinary incontinence and bladder overactivity ABBOTT LABORATORIES (US) 2012-08-21 US disclosed
EP-1478363-B1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LAB (US) 2009-01-14 EP disclosed
US-20080214524-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2008-09-04 US disclosed
US-7335678-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBOTT LABORATORIES (US) 2008-02-26 US disclosed
WO-2007146838-A2 SUBSTITUTED PHENYL ACETIC ACIDS AS DP-2 ANTAGONISTS ICOS CORPORATION (US) 2007-12-21 WO disclosed
CN-1863777-A Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LAB (US) 2006-11-15 CN disclosed
US-7078529-B2 N-[1-(bi)cycloaliphatic-1H-imidazol-4-yl]-(bi)cycloaliphatic acetamides; central nervous system disorders; enzyme inhibitors of cyclin-dependent kinase-2 and -5, and glycogen synthase kinase-3 PFIZER INC. (US) 2006-07-18 US disclosed
US-20060149066-A1 Imidazole derivatives PFIZER INC 2006-07-06 US disclosed
EP-1660455-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2006-05-31 EP disclosed
US-6933311-B2 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES (US) 2005-08-23 US disclosed
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor ABBVIE INC. 2004-10-21 US disclosed
US-20040192750-A1 Antiproliferative agents; anticancer agents; neurodegenerative agents sexual disorders; antidiabetic agents; urogenital disorders; antidiabetic agents; obesity; muscular disorders; aftertreatment surgery; autoimmune disease PFIZER INC 2004-09-30 US disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
US-6756385-B2 FERTILITY; ANTIDIABETIC AGENTS PFIZER INC. 2004-06-29 US disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 US disclosed
EP-1305295-A1 IMIDAZOLE DERIVATIVES Pfizer Products Inc. (US) 2003-05-02 EP disclosed
US-20030083352-A1 Synthesis of imidazole intermediates PFIZER INC. 2003-05-01 US disclosed
US-20020119963-A1 Imidazole derivatives PFIZER PRODUCTS INC. 2002-08-29 US disclosed
WO-2002010141-A1 IMIDAZOLE DERIVATIVES PFIZER PRODUCTS INC. (US) 2002-02-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080214524-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR TRPV1, TMEM109, VIPR1 MAPK8 1654/4885MAPK10 1182/4885MAPK9 1476/4885
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 MAPK8 1702/4885MAPK10 1206/4885MAPK9 1437/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 MAPK8 1732/4885MAPK10 1253/4885MAPK9 1533/4885
US-20040209884-A1 Fused azabicycic compounds that inhibit vanilloid receptor subtype 1(VR1) receptor TRPV1, TMEM109, GPR55 MAPK8 1645/4885MAPK10 1185/4885MAPK9 1485/4885
US-20030083352-A1 Synthesis of imidazole intermediates CDK1, CDK2, CDK3 MAPK8 428/4885MAPK10 442/4885MAPK9 112/4885
US-20060149066-A1 Imidazole derivatives CDK1, CDK3, CKMT1A; CKMT1B MAPK8 885/4885MAPK10 404/4885MAPK9 560/4885
US-20020119963-A1 Imidazole derivatives CDK1, CDK3, CDK2 MAPK8 786/4885MAPK10 373/4885MAPK9 467/4885
US-20040192750-A1 Antiproliferative agents; anticancer agents; neurodegenerative agents sexual disorders; antidiabetic agents; urogenital disorders; antidiabetic agents; obesity; muscular disorders; aftertreatment surgery; autoimmune disease CDK1, CDK3, CDK5 MAPK8 977/4885MAPK10 342/4885MAPK9 484/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.