SCHEMBL4487401

SCHEMBL4487401

CCOC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)[nH]c1N

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
AR P10275 2/20 0.55
PRKCZ Q05513 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 2/20 0.47
CDC7 O00311 1/20 0.47
GAA P10253 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
LMNA P02545 1/20 0.46
GCGR P47871 1/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL16043087 0.88 AR (0.60) MAPTARPRKCZSMN1; SMN2NPC1
SCHEMBL28411840 0.84 GCGR (0.51) MAPTSMN1; SMN2NPC1RAB9ACDC7
SCHEMBL7500235 0.83 LMNA (0.54) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL30741033 0.82 GCGR (0.56) MAPTARSMN1; SMN2CDC7ADORA3
SCHEMBL18342044 0.82 MEN1 (0.55) MAPTPRKCZSMN1; SMN2NPC1RAB9A
SCHEMBL6268999 0.82 MEN1 (0.51) MAPTSMN1; SMN2NPC1RAB9ACDC7
SCHEMBL7997890 0.82 ALDH1A1 (0.56) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL30741042 0.81 GCGR (0.55) MAPTARPRKCZSMN1; SMN2RAB9A
SCHEMBL4891722 0.81 ALDH1A1 (0.53) MAPTSMN1; SMN2NPC1RAB9ACDC7
SCHEMBL30741046 0.81 GCGR (0.54) MAPTARSMN1; SMN2NPC1RAB9A

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 27 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 claimed
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-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 MAPT 3758/4885AR 2837/4885PRKCZ 314/4885
US-20080161320-A1 FUSED BICYCLIC PYRIMIDINES AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC1, HDAC2, BAZ2A MAPT 1861/4885AR 2222/4885PRKCZ 496/4885

“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.