SCHEMBL12318101

SCHEMBL12318101

Cn1cncc1-c1n[nH]c2cc(C(=O)NCc3cccs3)ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 1/20 0.51
▸ TTK P33981 1/20 0.51
▸ HPGD P15428 7/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ HTT P42858 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK3 P27361 1/20 0.42
▸ ROCK2 O75116 1/20 0.42

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
SCHEMBL12317932 0.84 ITK (0.53) ITKHPGDALDH1A1MAPTMAPK1
SCHEMBL12317933 0.84 ATM (0.52) ITKHPGDALDH1A1MAPTKDM4E
SCHEMBL12269971 0.82 HPGD (0.45) ITKTTKHPGDALDH1A1MAPT
SCHEMBL12318479 0.80 ITK (0.61) ITKMAPK1MAPK3
SCHEMBL12317927 0.77 MAP2K4 (0.48) ITKMAPK1
SCHEMBL12317929 0.76 MAP2K4 (0.53) ITKHPGDALDH1A1MAPK1KDM4E
SCHEMBL12317931 0.72 GSK3B (0.47) ITKMAPTKDM4EHSD17B10POLB
SCHEMBL12318045 0.72 MAPK1 (0.45) ITKMAPK1MAPK3
SCHEMBL18108694 0.71 TTK (0.51) TTKHPGDALDH1A1MAPTMAPK1
SCHEMBL12317853 0.71 ROCK2 (0.43) ITKALDH1A1MAPK1GAALMNA

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 4 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
WO-2009059030-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-07 — — 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 (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 ITK 480/4885TTK 218/4885HPGD 2676/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 ITK 480/4885TTK 218/4885HPGD 2676/4885

“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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