SCHEMBL577445

SCHEMBL577445

[c]1nc2ccccc2nc1-c1nccs1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
PDPK1 O15530 1/20 0.46
ADORA2A P29274 8/20 0.40
ADORA1 P30542 8/20 0.40
CYP2A6 P11509 1/20 0.38
TGFBR1 P36897 1/20 0.37
ADORA3 P0DMS8 4/20 0.37
ADORA2B P29275 4/20 0.37
HSP90AA1 P07900 1/20 0.37
METAP1 P53582 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.34
PDK1 Q15118 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL3417300 0.74 RAB9A (0.50) RAB9APDPK1ADORA2AADORA1CYP2A6
SCHEMBL9843907 0.73 ALDH1A1 (0.40) RAB9AADORA3METAP1KMT2APDK1
SCHEMBL577508 0.72 KDM4E (0.49) RAB9AADORA2AADORA1MEN1NPC1
SCHEMBL577647 0.72 PDPK1 (0.39) RAB9APDPK1CYP2A6TGFBR1NPC1
SCHEMBL7790702 0.71 RAB9A (0.49) RAB9AMEN1NPC1KMT2A
SCHEMBL578172 0.70 KDM4E (0.50) RAB9AADORA3HSP90AA1METAP1NPC1
SCHEMBL8775303 0.69 RAB9A (0.65) RAB9APDPK1ADORA2AADORA1CYP2A6
SCHEMBL578186 0.69 MAPT (0.42) RAB9AADORA2AMEN1NPC1KMT2A
SCHEMBL577716 0.68 MAPK10 (0.44) RAB9AMEN1NPC1KMT2A
SCHEMBL13788340 0.68 RAB9A (0.50) RAB9APDPK1ADORA2AADORA1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4401441-B2 2010-01-20 JP claimed
JP-2001502360-A 2001-02-20 JP claimed
EP-0948308-A1 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER PRODUCTS, INC. (US) 1999-10-13 EP claimed
WO-1999004752-A2 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-02-04 WO claimed
US-5827860-A Peptidyl heterocycles useful in the treatment of thrombin related disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-27 US claimed
US-5827866-A ANTICOAGULANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-27 US claimed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-1999030729-A1 COMPOSITIONS AND METHODS FOR REGULATING PHAGOCYTOSIS AND ICAM-1 EXPRESSION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-06-24 WO disclosed
WO-1999004752-A9 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER (US) 1999-04-08 WO disclosed
WO-1999004752-A2 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-02-04 WO disclosed
US-5827860-A Peptidyl heterocycles useful in the treatment of thrombin related disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-27 US disclosed
US-5827866-A ANTICOAGULANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-27 US disclosed
EP-0794951-A1 PROCESSES AND INTERMEDIATES FOR PREPARING CIS(+)3- 4,-6-DIHYDROXYCHROMAN-3-YLMETHYL]-4-METHOXYANILINE Pfizer Hospital Products Group, Inc. (US) 1997-09-17 EP disclosed
WO-1996016955-A1 PROCESSES AND INTERMEDIATES FOR PREPARING CIS(+)3-[4,-6-DIHYDROXYCHROMAN-3-YLMETHYL]-4-METHOXYANILINE PFIZER INC. (US) 1996-06-06 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 (2 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-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RAB9A 2215/4885PDPK1 2431/4885ADORA2A 4585/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 RAB9A 2215/4885PDPK1 2431/4885ADORA2A 4585/4885

“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.