SCHEMBL9911397

SCHEMBL9911397

Cc1ccc(-n2ccnn2)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 17/20 0.61
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CHRNB2 P17787 1/20 0.49
CYP2B6 P20813 1/20 0.49
MAOA P21397 1/20 0.49
CYP2C19 P33261 1/20 0.49
CHRNA4 P43681 1/20 0.49
HTR3A P46098 1/20 0.49
EGLN2 Q96KS0 1/20 0.44
BCHE P06276 1/20 0.44
KCNH2 Q12809 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
SCHEMBL17539274 0.83 NOTUM (0.53) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL17666298 0.82 NOTUM (0.56) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL30413222 0.82 NOTUM (0.65) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL19814171 0.79 NOTUM (0.61) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL11003833 0.79 NOTUM (0.56) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL21031758 0.79 NOTUM (0.61) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL17539220 0.77 NOTUM (0.50) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL9911399 0.76 KMT2A (0.46) NOTUMBCHE
SCHEMBL15594057 0.76 NOTUM (0.53) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6
SCHEMBL21776803 0.76 NOTUM (1.00) NOTUMCYP1A2CYP2C9CHRNB2CYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LIMITED (IN) 2019-09-12 US disclosed
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2019-05-30 US disclosed
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN-CILAG (FR) 2018-06-21 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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 (4 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-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO NOTUM 2566/4885CYP1A2 1383/4885CYP2C9 2479/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO NOTUM 2566/4885CYP1A2 1383/4885CYP2C9 2479/4885
US-20180170909-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 NOTUM 3617/4885CYP1A2 294/4885CYP2C9 1947/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E NOTUM 1987/4885CYP1A2 318/4885CYP2C9 1295/4885

“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.