SCHEMBL12318031

SCHEMBL12318031

Cn1cncc1-c1n[nH]c2c(N3CCOCC3)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 2/20 0.43
▸ FGFR1 P11362 1/20 0.43
▸ LRRK2 Q5S007 5/20 0.40
▸ NCF1 P14598 2/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ ATR Q13535 3/20 0.37
▸ ATRIP Q8WXE1 3/20 0.37
▸ PIM1 P11309 3/20 0.37
▸ CCNT1 O60563 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK7 P50613 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CCNH P51946 1/20 0.36
▸ MNAT1 P51948 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ PIM3 Q86V86 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
SCHEMBL13839355 0.78 TDP1 (0.36) PRKDCFGFR1LRRK2NCF1PIK3CD
SCHEMBL12318033 0.76 LRRK2 (0.51) PRKDCFGFR1LRRK2PIK3CDPIK3CA
SCHEMBL12318041 0.75 IDO1 (0.38) FGFR1
SCHEMBL12318030 0.75 LRRK2 (0.50) FGFR1LRRK2
SCHEMBL12318032 0.69 IDO1 (0.50) FGFR1LRRK2GAA
SCHEMBL16025888 0.68 LRRK2 (0.63) LRRK2
SCHEMBL16718901 0.64 LRRK2 (0.69) LRRK2
SCHEMBL27250002 0.63 ALDH1A1 (0.43) FGFR1NCF1PIK3CAPIK3CBGAA
SCHEMBL3536889 0.63 FGFR1 (0.72) FGFR1LRRK2NCF1CDK2CDK7
SCHEMBL18107304 0.62 KMT2A (0.37) PRKDCLRRK2PIK3CAGAA

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 PRKDC 41/4885FGFR1 486/4885LRRK2 391/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 PRKDC 41/4885FGFR1 486/4885LRRK2 391/4885

“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.

Send feedback