SCHEMBL2499153

SCHEMBL2499153

COC(=O)c1ccc(C2(c3nccs3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 4/20 0.38
PPARG P37231 1/20 0.38
MAPK10 P53779 1/20 0.38

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
SCHEMBL196627 0.91 F2RL3 (0.42) PTGS1NPC1RAB9AOPRD1OPRK1
SCHEMBL2533736 0.76 LMNA (0.40) OPRD1OPRK1ALDH1A1L3MBTL1KDM4E
SCHEMBL31522049 0.76 TSHR (0.60) NPC1RAB9AOPRD1OPRK1ALDH1A1
SCHEMBL2701476 0.75 KDM4E (0.43) OPRD1OPRK1ALDH1A1L3MBTL1KDM4E
SCHEMBL2699870 0.75 MAPK1 (0.38) RAB9AOPRD1OPRK1ALDH1A1L3MBTL1
SCHEMBL197600 0.75 POLB (0.38) NPC1RAB9AALDH1A1L3MBTL1LMNA
SCHEMBL13823820 0.73 SYK (0.50)
SCHEMBL13725916 0.73 SYK (0.50)
SCHEMBL13726597 0.73 SYK (0.50)
SCHEMBL2699872 0.72 CYP19A1 (0.48) NPC1RAB9AALDH1A1L3MBTL1KDM4E

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-20140243290-A1 Aminopyrimidines as SYK Inhibitors ALTMAN MICHAEL D (US) 2014-08-28 US disclosed
US-8759366-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-06-24 US disclosed
US-8551984-B2 Aminopyrimidines as SYK inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2012-11-01 US disclosed
US-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME LLC 2011-10-06 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-20110245205-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK PTGS1 788/4885NPC1 4448/4885RAB9A 4273/4885
US-20140243290-A1 Aminopyrimidines as SYK Inhibitors SYK, BTK, LCK PTGS1 788/4885NPC1 4448/4885RAB9A 4273/4885
US-20120277192-A1 AMINOPYRIMIDINES AS SYK INHIBITORS SYK, BTK, LCK PTGS1 788/4885NPC1 4448/4885RAB9A 4273/4885

“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.