SCHEMBL12318042

SCHEMBL12318042

Cn1cncc1-c1n[nH]c2ccc(N)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 5/20 0.58
▸ HTR2A P28223 3/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ GSK3B P49841 1/20 0.43
▸ HTR6 P50406 6/20 0.41
▸ HTR1A P08908 6/20 0.41
▸ HTR7 P34969 6/20 0.41
▸ DRD2 P14416 2/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ MAP2K4 P45985 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ CLK2 P49760 1/20 0.36
▸ CLK3 P49761 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36

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
SCHEMBL12318043 0.89 AXL (0.58) AXLHTR2AHTR6HTR1AHTR7
SCHEMBL12318032 0.80 IDO1 (0.50) HTR2AHTR2CHTR2BHTR6HTR7
SCHEMBL12318030 0.75 LRRK2 (0.50) AXLCLK2CLK3DYRK1A
SCHEMBL25171502 0.74 AXL (0.64) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL12619743 0.74 AXL (0.44) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL12193658 0.72 MKNK1 (0.61) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL12318041 0.72 IDO1 (0.38) HTR2AHTR2CHTR6HTR1AHTR7
SCHEMBL1663211 0.72 AXL (0.60) AXLHTR2AHTR2CHTR2BGSK3B
SCHEMBL12317927 0.71 MAP2K4 (0.48) HTR6HTR1AHTR7DRD2CYP3A4
SCHEMBL266855 0.70 GSK3B (0.56) AXLHTR2AHTR2CHTR2BGSK3B

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 959/4885HTR2A 3618/4885HTR2C 2805/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 AXL 959/4885HTR2A 3618/4885HTR2C 2805/4885

“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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