SCHEMBL477541

SCHEMBL477541

COc1cccc2nc(C(F)F)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
POLB P06746 3/20 0.49
CDK9 P50750 1/20 0.43
DYRK1A Q13627 1/20 0.43
NQO2 P16083 6/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL22962263 0.85 KDM4E (0.42) ALDH1A1POLBCDK9DYRK1ANQO2
SCHEMBL6958259 0.83 KEAP1 (0.42) ALDH1A1POLBCDK9DYRK1ANQO2
SCHEMBL6935072 0.78 NQO2 (0.44) ALDH1A1POLBCDK9DYRK1ANQO2
SCHEMBL4611131 0.76 ALDH1A1 (0.46) ALDH1A1POLBCDK9DYRK1ANQO2
SCHEMBL4420447 0.76 NQO2 (0.46) ALDH1A1POLBCDK9DYRK1ANQO2
SCHEMBL23676489 0.76 CYP3A4 (0.41) CDK9DYRK1ANQO2MAPTMEN1
SCHEMBL941422 0.75 KEAP1 (0.47) ALDH1A1POLBCDK9DYRK1ANQO2
SCHEMBL31723877 0.75 DCPS (0.47) ALDH1A1POLBCDK9DYRK1ANQO2
SCHEMBL24834182 0.75 DCPS (0.47) ALDH1A1POLBCDK9DYRK1ANQO2
SCHEMBL2549634 0.75 NQO2 (0.44) ALDH1A1POLBCDK9DYRK1ANQO2

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
EP-1741714-B1 HETEROCYCLIC COMPOUND AND ANTI-MALIGNANT-TUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2013-01-09 EP disclosed
US-8338414-B2 Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2012-12-25 US disclosed
EP-1864665-B1 IMMUNOSUPPRESSIVE AGENT COMPRISING A HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KK (JP) 2012-05-16 EP disclosed
EP-2411387-A2 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-02-01 EP disclosed
US-7855199-B2 antitumor agents such as 2-(2-difluoromethyl-4-methoxybenzimidazol-1 -yl)-4-(cis-2,6-dimethylmorpholino)-6-morpholinopyrimidine, used for inhibiting the growth of a human colon cancer cell, a human lung cancer cell, a human breast cancer cell or a human prostate cancer cell ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2010-12-21 US disclosed
US-20100267700-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2010-10-21 US disclosed
WO-2010110685-A2 PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO disclosed
US-7750001-B2 Immunosuppressive agent and anti-tumor agent comprising heterocyclic compound as active ingredient ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2010-07-06 US disclosed
US-20080287431-A1 Heterocyclic Compound and Anti-Malignant-Tumor Agent Containing the Same as Active Ingredient ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2008-11-20 US disclosed
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 2008-05-15 US disclosed
EP-1864665-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-12-12 EP disclosed
EP-1741714-A1 HETEROCYCLIC COMPOUND AND ANTI-MALIGNANT-TUMOR AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2007-01-10 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 (3 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-20100267700-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT IL2, NFATC1, CD47 ALDH1A1 2283/4885POLB 4437/4885CDK9 2682/4885
US-20080287431-A1 Heterocyclic Compound and Anti-Malignant-Tumor Agent Containing the Same as Active Ingredient TP53, RB1, VHL ALDH1A1 2121/4885POLB 2206/4885CDK9 645/4885
US-20080113987-A1 IMMUNOSUPPRESSIVE AGENT AND ANTI-TUMOR AGENT COMPRISING HETEROCYCLIC COMPOUND AS ACTIVE INGREDIENT IL2, NFATC1, CD47 ALDH1A1 2283/4885POLB 4437/4885CDK9 2682/4885

“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.