SCHEMBL10189707

SCHEMBL10189707

COc1cc(-c2nn[nH]c2-c2ccc3cccnc3c2)cc(C)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
ALDH1A1 P00352 3/20 0.37
SYK P43405 3/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35

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
SCHEMBL412188 0.88 SYK (0.50) PDGFRBPDGFRAALDH1A1SYKNPC1
SCHEMBL10189706 0.81 ERN1 (0.41) ALDH1A1NPC1TUBB4ATUBBTUBA3C
SCHEMBL10189709 0.80 CYP11B2 (0.37) PDGFRBPDGFRAALDH1A1KDM4ECCNB2
SCHEMBL10189738 0.79 MAPK1 (0.45) PDGFRBPDGFRAALDH1A1NPC1RAB9A
SCHEMBL10189705 0.78 S1PR1 (0.38) PDGFRBPDGFRANPC1SMN1; SMN2CCNB2
SCHEMBL10189700 0.78 ALDH1A1 (0.40) PDGFRBPDGFRAALDH1A1NPC1RAB9A
SCHEMBL10189704 0.78 MAPK1 (0.43) PDGFRBPDGFRANPC1RAB9ASMN1; SMN2
SCHEMBL10189699 0.78 ALDH1A1 (0.35) PDGFRBPDGFRAALDH1A1KDM4ECCNB2
SCHEMBL10189728 0.78 SMPD3 (0.41) PDGFRBALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL10189708 0.78 S1PR1 (0.37) PDGFRBPDGFRAALDH1A1NPC1TUBB4A

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-9175022-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2015-11-03 US disclosed
US-8501790-B2 Compounds for the treatment of proliferative disorders SYNTA PHARMACEUTICALS CORP. (US) 2013-08-06 US disclosed
US-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS SYNTA PHARMACEUTICALS CORP. 2012-01-26 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 (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-20120022118-A1 COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS RB1, MKI67, MAPRE1 PDGFRB 186/4885PDGFRA 195/4885ALDH1A1 1872/4885

“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.