SCHEMBL17320231

SCHEMBL17320231

CN(C)/C=C\C(=O)c1ccnc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.61
MAPT P10636 10/20 0.59
ALDH1A1 P00352 8/20 0.59
GAA P10253 4/20 0.59
HPGD P15428 3/20 0.59
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
ALOX12 P18054 1/20 0.57
RECQL P46063 2/20 0.51
LMNA P02545 4/20 0.50
KDM4E B2RXH2 1/20 0.49
RAB9A P51151 4/20 0.49
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL38657127 1.00 HTT (0.61) HTTMAPTALDH1A1GAAHPGD
SCHEMBL2438076 1.00 HTT (0.61) HTTMAPTALDH1A1GAAHPGD
SCHEMBL2438072 1.00 HTT (0.61) HTTMAPTALDH1A1GAAHPGD
SCHEMBL5790340 0.83 HTT (0.63) HTTMAPTALDH1A1GAAHPGD
SCHEMBL5790343 0.83 HTT (0.63) HTTMAPTALDH1A1GAAHPGD
SCHEMBL5789655 0.81 HTT (0.61) HTTMAPTALDH1A1GAAHPGD
SCHEMBL5760734 0.81 HTT (0.61) HTTMAPTALDH1A1GAAHPGD
SCHEMBL19139216 0.81 HTT (0.61) HTTMAPTALDH1A1GAAHPGD
SCHEMBL5789657 0.81 HTT (0.61) HTTMAPTALDH1A1GAAHPGD
SCHEMBL5760737 0.81 HTT (0.61) HTTMAPTALDH1A1GAAHPGD

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-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-9708295-B2 Substituted 2-aminopyridine protein kinase inhibitor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-07-18 US disclosed
US-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 US disclosed
US-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD (CN) 2016-01-07 US disclosed
EP-2952510-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2015-12-09 EP 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 (1 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-20160002205-A1 SUBSTITUTED 2-AMINOPYRIDINE PROTEIN KINASE INHIBITOR PACSIN2, MAPKAPK2, PRKCA HTT 3440/4885MAPT 1571/4885ALDH1A1 3582/4885

“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.