SCHEMBL987167

SCHEMBL987167

COc1cc(C)cc(C(=O)Cc2ccnc(SC)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
MAPK10 P53779 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
KDR P35968 3/20 0.34
BRAF P15056 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL3912903 0.87 MAPT (0.41) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL4408276 0.84 MAPT (0.48) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2256213 0.83 ALDH1A1 (0.36) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL3909697 0.83 FFAR4 (0.33) KMT2AALDH1A1MAPTPOLBHPGD
SCHEMBL14414201 0.82 ALOX15 (0.34) KMT2AALDH1A1MAPTLMNAPOLB
SCHEMBL5604633 0.78 SMPD1 (0.53) ALDH1A1MAPTSMN1; SMN2POLBNPC1
SCHEMBL5604816 0.77 NPC1 (0.38) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5605441 0.76 PDE4D (0.46) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2933353 0.76 RAB9A (0.42) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2254883 0.75 KDM4E (0.41) MEN1KMT2AMAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-20 US claimed
US-8273880-B2 Pyrazole compounds with inhibitory activity against ROS kinase KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-09-25 US disclosed
US-8273880-B2 Pyrazole compounds with inhibitory activity against ROS kinase KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-09-25 US disclosed
US-8273880-B2 Pyrazole compounds with inhibitory activity against ROS kinase KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-09-25 US disclosed
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-20 US disclosed
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-20 US disclosed
US-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-01-20 US disclosed
EP-2024353-A2 PYRAZOLE COMPOUNDS Pfizer Products Inc. (US) 2009-02-18 EP disclosed
WO-2007105058-A2 PYRAZOLE COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-09-20 WO 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-20110015395-A1 PYRAZOLE COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST ROS KINASE ROS1, PDPK1, MAP3K19 MEN1 3967/4885KMT2A 1936/4885ALDH1A1 1644/4885

“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.