SCHEMBL4338065

SCHEMBL4338065

O=[N+]([O-])c1ccc(-c2cc3c(Cl)ncnc3[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.52
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
MAPT P10636 6/20 0.45
POLB P06746 2/20 0.45
MCL1 Q07820 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KIT P10721 6/20 0.45
CDC7 O00311 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
ALDH1A1 P00352 3/20 0.40
GFER P55789 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL4775239 0.86 CSF1R (0.54) CSF1RADORA2AADORA1MAPTPOLB
SCHEMBL4729284 0.84 CSF1R (0.52) CSF1RADORA2AADORA1MAPTPOLB
SCHEMBL31565345 0.80 KIT (0.61) CSF1RADORA2AADORA1KIT
SCHEMBL22195118 0.80 KIT (0.61) CSF1RADORA2AADORA1KIT
SCHEMBL24223646 0.80 KIT (0.76) KIT
SCHEMBL6259087 0.79 EGFR (0.53) CSF1RKITGCGRMAPK14
SCHEMBL20493380 0.79 KIT (0.70) KIT
SCHEMBL16546224 0.79 EGFR (0.51) CSF1RKIT
SCHEMBL4774789 0.78 EGFR (0.64)
SCHEMBL1899495 0.78 EGFR (0.55) CSF1RADORA2AADORA1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343068-A Preparation method of FGFR2 inhibitor Lirafugatinib (RLY-4008) 上海相辉医药科技有限公司 2024-01-05 CN disclosed
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 EP disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 US disclosed
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-07-03 US disclosed
WO-2008033745-A2 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed
US-6180636-B1 USED TO INHIBIT THE TYROSINE KINASE ACTIVITY OF THE RECEPTOR FOR THE EPIDERMAL GROWTH FACTOR AND C-ERBB2 KINASE AND CAN BE USED AS ANTITUMOR AGENTS NOVARTIS AG (CH) 2001-01-30 US disclosed
US-6140317-A AS INHIBITORS OF PROTEIN KINASES AND HAVE ANTITUMOUR ACTIVITY NOVARTIS AG (CH) 2000-10-31 US disclosed
US-6140332-A Pyrrolopyrimidines and processes for the preparation thereof NOVARTIS AG (CH) 2000-10-31 US disclosed
EP-0938486-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-09-01 EP disclosed
EP-0888349-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1999-01-07 EP disclosed
CN-1194647-A Pyrrolopyrimidines and processes for preparation thereof NOVARTIS CO (CH) 1998-09-30 CN disclosed
EP-0836605-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF Novartis AG (CH) 1998-04-22 EP disclosed
WO-1998007726-A1 SUBSTITUTED PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1998-02-26 WO disclosed
WO-1997027199-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-07-31 WO disclosed
WO-1997002266-A1 PYRROLOPYRIMIDINES AND PROCESSES FOR THE PREPARATION THEREOF NOVARTIS AG (CH) 1997-01-23 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 CSF1R 1746/4885ADORA2A 4408/4885ADORA1 4633/4885
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC1, HDAC2, BAZ2A CSF1R 2305/4885ADORA2A 3986/4885ADORA1 4747/4885

“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.