SCHEMBL12640373

SCHEMBL12640373

Cc1cc(C=O)cnc1NCc1ccc(Cl)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
FAAH O00519 1/20 0.37
PLK1 P53350 1/20 0.37
LMNA P02545 1/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
POLB P06746 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
SCHEMBL12675605 0.84 KDM4E (0.48) KDM4EALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2599924 0.82 CYP3A4 (0.45) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL12640338 0.81 KDM4E (0.53) KDM4EALDH1A1GAASMN1; SMN2MAPT
SCHEMBL12640377 0.81 CYP2C9 (0.47) P2RX3P2RX2CYP3A4CYP2C19
SCHEMBL12674819 0.79 KDM4E (0.57) KDM4EALDH1A1GAASMN1; SMN2MAPT
SCHEMBL12640351 0.75 MAPT (0.53) KDM4EALDH1A1GAASMN1; SMN2MAPT
SCHEMBL12640370 0.74 PDPK1 (0.37) ALDH1A1DYRK1ACLK4CYP3A4
SCHEMBL12640368 0.73 PIK3CA (0.47) ALDH1A1GAACYP3A4
SCHEMBL24240999 0.70 KDM4E (0.33) KDM4EALDH1A1CYP3A4
SCHEMBL1882058 0.69 CYP3A4 (0.65) KDM4EALDH1A1GAASMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-9096593-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2015-08-04 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-02-13 US disclosed
WO-2011057022-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-05-12 WO disclosed
US-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-05-12 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 (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-20110112127-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF KDM4E 2135/4885ALDH1A1 2981/4885GAA 681/4885
US-20140045840-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, FLT3, BRAF KDM4E 2135/4885ALDH1A1 2981/4885GAA 681/4885

“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.