SCHEMBL21030429

SCHEMBL21030429

Cc1ncn(-c2ccc(C(C)C)cc2Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.34
NOTUM Q6P988 1/20 0.34
PTGS1 P23219 2/20 0.34
CHRM1 P11229 1/20 0.34
CRHR1 P34998 4/20 0.34
LMNA P02545 1/20 0.33
CNR1 P21554 2/20 0.32
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
TRPA1 O75762 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL20085563 0.82 TRPA1 (0.46) NOTUMPTGS1CRHR1LMNATRPA1
SCHEMBL20085553 0.82 PSEN1 (0.35) NOTUMPTGS1CRHR1LMNAPSEN1
SCHEMBL30725597 0.81 KCNH2 (0.43) NOTUMLMNACNR1
SCHEMBL16201998 0.81 KCNH2 (0.43) NOTUMLMNACNR1
SCHEMBL17720567 0.81 POLB (0.41) MALT1LMNA
SCHEMBL2921125 0.80 CHRM1 (0.32) MALT1NOTUMPTGS1CHRM1
SCHEMBL20085552 0.79 CRHR1 (0.33) PTGS1CRHR1LMNATRPA1CACNA1C
SCHEMBL6124230 0.79 ALDH1A1 (0.41) CRHR1PSEN1PSEN2APH1BNCSTN
SCHEMBL21030746 0.78 ALOX5AP (0.36) CRHR1
SCHEMBL19814290 0.78 MAPT (0.44) MALT1LMNA

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 2 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

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-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO MALT1 1/4885NOTUM 2566/4885PTGS1 933/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO MALT1 1/4885NOTUM 2566/4885PTGS1 933/4885

“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.