SCHEMBL5420904

SCHEMBL5420904

Cc1nc(O)cc(-c2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.43
ADORA2A P29274 2/20 0.43
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 3/20 0.42
ALOX5 P09917 2/20 0.42
NPC1 O15118 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
RAD51 Q06609 1/20 0.41
ALOX15 P16050 1/20 0.41
CXCL12 P48061 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
PFKFB3 Q16875 1/20 0.40
MAPK14 Q16539 1/20 0.40
ADORA1 P30542 1/20 0.40
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL19862096 0.86 MAOA (0.47) ADORA3ADORA2ARAB9AALDH1A1ALOX5
SCHEMBL10967059 0.85 MAPT (0.46) ADORA3RAB9AALDH1A1ALOX5NPC1
SCHEMBL4297486 0.81 KMT2A (0.51) ADORA3ADORA2ARAB9AALDH1A1MEN1
SCHEMBL8321136 0.81 RAD51 (0.43) ADORA3ADORA2ARAB9AALDH1A1ALOX5
SCHEMBL20222411 0.81 MEN1 (0.55) ADORA3RAB9AALDH1A1NPC1MEN1
SCHEMBL3451092 0.81 ALOX5 (0.44) ADORA3ADORA2ARAB9AALDH1A1ALOX5
SCHEMBL1012879 0.79 KIF11 (0.44) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL9013563 0.79 DYRK1A (0.50) ADORA3RAB9AALDH1A1NPC1MEN1
SCHEMBL3451384 0.78 KDM4E (0.60) ADORA2ARAB9AALDH1A1ALOX5NPC1
SCHEMBL600729 0.78 RAD51 (0.44) ADORA3ADORA2AALDH1A1MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744175-B2 Compositions of combinations of non-covalent DNA binding agents and anti-cancer and/or anti-inflammatory agents and their use in disease treatment INDUS PHARMACEUTICALS, INC. (US) 2017-08-29 US disclosed
US-20150056192-A1 NOVEL COMPOSITIONS OF COMBINATIONS OF NON-COVALENT DNA BINDING AGENTS AND ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS AND THEIR USE IN DISEASE TREATMENT INDUS PHARMACEUTICALS, INC. 2015-02-26 US disclosed
US-20070021451-A1 Method for preventing or treating neurologic damage after spinal cord injury HAMAMATSU UNIVERSITY SCHOOL OF MEDICINE (JP) 2007-01-25 US disclosed
US-7091206-B2 Process for producing pyrimidine derivative and intermediate thereof NIPPON SHINYAKU CO., LTD (JP) 2006-08-15 US disclosed
EP-1318146-B1 PROCESS FOR PRODUCING PYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF NIPPON SHINYAKU CO LTD (JP) 2005-02-23 EP disclosed
EP-0781766-B1 HETEROCYCLIC DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2004-03-31 EP disclosed
US-20040023985-A1 Process for producing pyrimidine derivative and intermediate thereof NIPPON SHINYAKU CO., LTD. (JP) 2004-02-05 US disclosed
CN-1118454-C Heterocyclic derivative and medicine NIPPON SHINYAKU CO LTD (JP) 2003-08-20 CN disclosed
EP-1318146-A1 PROCESS FOR PRODUCING PYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF Nippon Shinyaku Co., Ltd. (JP) 2003-06-11 EP disclosed
US-6191149-B1 DRUG FOR CEREBROVASCULAR DISEASE NIPPON SHINYAKU, CO., LTD. (JP) 2001-02-20 US disclosed
US-5945426-A PREVENT NEURONAL DEATH NIPPON SHINYAKU CO., LTD. (JP) 1999-08-31 US disclosed
EP-0781766-A1 HETEROCYCLIC DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-07-02 EP 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-20070021451-A1 Method for preventing or treating neurologic damage after spinal cord injury SMN1; SMN2, AQP4, GAP43 ADORA3 2205/4885ADORA2A 2635/4885RAB9A 2019/4885
US-20150056192-A1 NOVEL COMPOSITIONS OF COMBINATIONS OF NON-COVALENT DNA BINDING AGENTS AND ANTI-CANCER AND/OR ANTI-INFLAMMATORY AGENTS AND THEIR USE IN DISEASE TREATMENT TOP2A, HMGB1, TOP2B ADORA3 1437/4885ADORA2A 590/4885RAB9A 4121/4885

“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.