SCHEMBL21031071

SCHEMBL21031071

Cc1ncnn1-c1ccc(C(C)C)cc1C#N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
ALOX5AP P20292 1/20 0.35
CACNA1H O95180 2/20 0.33
NPBWR1 P48145 1/20 0.33
MCHR1 Q99705 1/20 0.33
P2RX3 P56373 5/20 0.33
P2RX2 Q9UBL9 5/20 0.33
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL19814266 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDALOX5APEGLN2
SCHEMBL21030427 0.78 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2NPBWR1MCHR1
SCHEMBL4830973 0.77 KDM4E (0.54) KDM4ESMN1; SMN2EGLN2
SCHEMBL21032128 0.76 NPC1 (0.38) NPC1ALDH1A1POLBHPGDRAB9A
SCHEMBL2076032 0.74 EGLN2 (0.40) KDM4ESCN9AALOX5APEGLN2
SCHEMBL21030746 0.73 ALOX5AP (0.36) KDM4ENPC1ALDH1A1POLBHPGD
SCHEMBL24451809 0.71 AR (0.53) KDM4EALDH1A1SMN1; SMN2
SCHEMBL5478114 0.71 EGLN2 (0.46) KDM4ESMN1; SMN2EGLN2
SCHEMBL5177002 0.69 LMNA (0.52) KDM4ENPC1ALDH1A1POLBHPGD
SCHEMBL20883656 0.69 XDH (0.46) KDM4EALDH1A1POLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS LUPIN LTD (IN) 2021-02-25 US disclosed
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 (3 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-20210052556-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO KDM4E 2530/4885NPC1 1613/4885ALDH1A1 1217/4885
US-20190275012-A9 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO KDM4E 2530/4885NPC1 1613/4885ALDH1A1 1217/4885
US-20190160045-A1 SUBSTITUTED THIAZOLO-PYRIDINE COMPOUNDS AS MALT1 INHIBITORS MALT1, PTP4A1, PTPRO KDM4E 2530/4885NPC1 1613/4885ALDH1A1 1217/4885

“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.