SCHEMBL14630320

SCHEMBL14630320

COCCCNC(=O)c1cnc(Cl)c2cnc(C)n12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
BTK Q06187 2/20 0.39
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
POLB P06746 2/20 0.37
NR3C1 P04150 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL14630058 0.80 BTK (0.44) ALDH1A1BTKHSD17B10KDM4EHPGD
SCHEMBL4097722 0.77 TP53 (0.43) ALDH1A1HSD17B10KDM4EHPGDNR3C1
SCHEMBL14630391 0.73 CCR9 (0.33) ALDH1A1MAPK1L3MBTL1
SCHEMBL14630934 0.70 BTK (0.54) ALDH1A1BTKHSD17B10KDM4EHPGD
SCHEMBL16109895 0.65 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDTDP1L3MBTL1
SCHEMBL5426752 0.64 ALDH1A1 (0.53) ALDH1A1HSD17B10KDM4EHPGDGAA
SCHEMBL5422992 0.64 KDM4E (0.74) ALDH1A1KDM4EHPGDPOLBTDP1
SCHEMBL9561573 0.64 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDPOLBHTT
SCHEMBL8403022 0.62 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDRECQLPOLB
SCHEMBL14228048 0.62 KDM4E (0.69) ALDH1A1KDM4EHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 EP disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 EP disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 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 (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-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 ALDH1A1 4429/4885BTK 1/4885HSD17B10 3720/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 ALDH1A1 4482/4885BTK 1/4885HSD17B10 3544/4885

“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.