SCHEMBL4012971

SCHEMBL4012971

O=C(c1ccccc1Cl)c1ncc(Cl)nc1Cl

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
IGFBP3 P17936 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK13 O15264 6/20 0.42
MAPK12 P53778 6/20 0.42
MAPK11 Q15759 6/20 0.42
MAPK14 Q16539 6/20 0.42
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
RORB Q92753 3/20 0.40
RORC P51449 1/20 0.39
PLAU P00749 1/20 0.39
ELANE P08246 1/20 0.39
VNN1 O95497 1/20 0.39
CYP11B2 P19099 1/20 0.37

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
SCHEMBL19641120 0.88 TSHR (0.46) ALDH1A1
SCHEMBL19641085 0.86 KMO (0.38) CES2CES1MAPK13MAPK12MAPK11
SCHEMBL30677177 0.83 LMNA (0.53) KMT2AALDH1A1POLB
SCHEMBL19641249 0.83 LMNA (0.53) KMT2AALDH1A1POLB
SCHEMBL19641127 0.81 ROCK2 (0.35) KMT2AIGFBP3ALDH1A1VNN1
SCHEMBL27778060 0.80 SIRT6 (0.38) KMT2AALDH1A1
SCHEMBL14015128 0.80 HPGD (0.50) KMT2AALDH1A1
SCHEMBL19641385 0.79 GRM5 (0.37) KMT2AMAPK13MAPK12MAPK11MAPK14
SCHEMBL19641316 0.79 CCR4 (0.37) CES2CES1ALDH1A1MAPK13MAPK12
SCHEMBL19641109 0.76 CDK2 (0.42) KMT2AMAPK14RORB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515916-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2023-06-07 EP disclosed
EP-3515916-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2023-06-07 EP disclosed
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2019-10-10 US disclosed
US-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2019-10-10 US disclosed
EP-3515916-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2019-07-31 EP disclosed
WO-2018057884-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2018-03-29 WO disclosed
WO-2018057884-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2018-03-29 WO disclosed
CN-101242832-B Fused pyrazole as p38 MAP kinase inhibitors HOFFMANN LA ROCHE 2011-08-10 CN disclosed
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-08-30 US disclosed
CN-1934111-A Heteroaryl-fused pyrazolo derivatives ROCHE PALO ALTO LLC (CH) 2007-03-21 CN disclosed
CN-1926139-A Fused pyrazole derivatives HOFFMANN LA ROCHE (CH) 2007-03-07 CN disclosed
WO-2007023105-A1 FUSED PYRAZOLE AS p38 MAP KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 WO disclosed
EP-1737865-A1 FUSED DERIVATIVES OF PYRAZOLE F.HOFFMANN-LA ROCHE AG (CH) 2007-01-03 EP disclosed
EP-1720878-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-11-15 EP disclosed
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-15 US disclosed
WO-2005085248-A1 HETEROARYL-FUSED PYRAZOLO DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
WO-2005085249-A1 FUSED DERIVATIVES OF PYRAZOLE F. HOFFMANN-LA ROCHE AG (CH) 2005-09-15 WO disclosed
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same ROCHE PALO ALTO LLC 2005-09-08 US 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 (5 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-20190307745-A1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN21, PTPN5, PTPN1 KMT2A 758/4885CES2 3588/4885CES1 3852/4885
US-20050197340-A1 Fused-pyrazolo pyrimidine and pyrazolo pyrimidinone derivatives and methods for using the same MAP3K1, MAPK1, MAP3K8 KMT2A 2973/4885CES2 4429/4885CES1 3049/4885
US-11529347-B2 SHP2 phosphatase inhibitors and methods of use thereof PTPN21, PTPN22, PTPN5 KMT2A 919/4885CES2 3703/4885CES1 3741/4885
US-20070203160-A1 p38 MAP kinase inhibitors and methods for using the same MAPKAPK2, MAPK1, MAP3K2 KMT2A 3122/4885CES2 3229/4885CES1 2303/4885
US-20050203091-A1 Heteroaryl-fused pyrazolo derivatives and methods for using the same MAP3K1, MAP3K21, MAP3K2 KMT2A 2066/4885CES2 3739/4885CES1 2281/4885

“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.