SCHEMBL12318043

SCHEMBL12318043

Cn1cncc1-c1n[nH]c2cc(N)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 7/20 0.58
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ FGFR2 P21802 1/20 0.42
▸ HTR6 P50406 4/20 0.39
▸ HTR1A P08908 3/20 0.39
▸ HTR7 P34969 3/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ AURKA O14965 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CHEK1 O14757 2/20 0.37
▸ LDLR P01130 1/20 0.36
▸ PCSK9 Q8NBP7 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ PRKCZ Q05513 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
SCHEMBL12318042 0.89 AXL (0.58) AXLPRMT5WDR77HTR6HTR1A
SCHEMBL12318032 0.80 IDO1 (0.50) FGFR1HTR6HTR7HTR2AAURKA
SCHEMBL12317927 0.79 MAP2K4 (0.48) PRMT5WDR77HTR6HTR1AHTR7
SCHEMBL12317929 0.76 MAP2K4 (0.53) HTR6HTR1AHTR7DRD2CYP3A4
SCHEMBL12318033 0.76 LRRK2 (0.51) FGFR1FGFR2
SCHEMBL12619759 0.74 AXL (0.44) AXLPRMT5WDR77PDPK1
SCHEMBL12318041 0.72 IDO1 (0.38) PRMT5WDR77FGFR1HTR6HTR1A
SCHEMBL1663819 0.72 FGFR1 (0.71) AXLFGFR1FGFR2AURKACHEK1
SCHEMBL6371302 0.70 AXL (1.00) AXLFGFR1FGFR2AURKAIDO1
SCHEMBL5552470 0.69 AXL (0.69) AXLFGFR1FGFR2AURKACHEK1

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-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-09-01 — — US disclosed
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 (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-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 AXL 959/4885PRMT5 1089/4885WDR77 2169/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 AXL 959/4885PRMT5 1089/4885WDR77 2169/4885

“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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