SCHEMBL12619759

SCHEMBL12619759

Cn1cncc1C#Cc1n[nH]c2cc(N)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.38
▸ PIKFYVE Q9Y2I7 2/20 0.38
▸ MAP3K14 Q99558 1/20 0.37
▸ ATM Q13315 3/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ PDPK1 O15530 1/20 0.33
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ IMPDH2 P12268 1/20 0.32
▸ FGFR3 P22607 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PSMD14 O00487 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ UBE2N P61088 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL12619743 0.90 AXL (0.44) AXLTDP1PIKFYVEMAP3K14ATM
SCHEMBL12269735 0.82 TDP1 (0.46) TDP1PIKFYVEMAP3K14ATMHSP90AA1
SCHEMBL12269662 0.81 TDP1 (0.38) TDP1HSP90AA1FGFR3KDRPSMD14
SCHEMBL12269661 0.78 MAP2K4 (0.42) TDP1KDM4EMEN1PKMHTT
SCHEMBL13839354 0.78 LRRK2 (0.40) TDP1HSP90AA1PDPK1KDR
SCHEMBL12619738 0.75 TDP1 (0.40) TDP1PIKFYVEMAP3K14ATMHSP90AA1
SCHEMBL12318043 0.74 AXL (0.58) AXLPDPK1PRMT5WDR77
SCHEMBL12269788 0.72 GSK3B (0.45) GSK3BKDM4EMEN1MAPTPKM
SCHEMBL13839356 0.71 LRRK2 (0.42) TDP1L3MBTL1KDM4EMEN1MAPT
SCHEMBL12269971 0.70 HPGD (0.45) TDP1RXFP1KDM4EMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951832-B2 Pyrazole derivatives as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-31 — — US disclosed
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 — — 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-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 AXL 959/4885TDP1 1233/4885PIKFYVE 83/4885

“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.

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