SCHEMBL4809769

SCHEMBL4809769

O=C(CCl)Nc1ccc2c(c1)Cc1cn[nH]c1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
POLB P06746 1/20 0.49
CASP3 P42574 1/20 0.45
LTK P29376 2/20 0.44
AURKB Q96GD4 2/20 0.44
PLK4 O00444 1/20 0.44
DAPK3 O43293 1/20 0.44
PIM1 P11309 1/20 0.44
PDGFRA P16234 1/20 0.44
MAP2K2 P36507 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
CSNK1A1 P48729 1/20 0.44
TDO2 P48775 1/20 0.44
CDK8 P49336 1/20 0.44
CDK5 Q00535 1/20 0.44
MAP2K1 Q02750 1/20 0.44
MST1R Q04912 1/20 0.44
PTK2 Q05397 1/20 0.44

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
SCHEMBL7092059 0.80 MAPK1 (0.59) POLBKMT2APARP1ALDH1A1HTT
SCHEMBL4813291 0.77 CHEK1 (0.52) RAB9APOLBCASP3NPC1CHEK1
SCHEMBL4066767 0.71 PARP1 (0.82) RAB9ACASP3NPC1PARP1
SCHEMBL4578714 0.70 CLK2 (0.65) RAB9ADYRK1ACLK4NPC1KMT2A
SCHEMBL4577230 0.70 ROCK2 (0.67) RAB9APOLBROCK1DYRK1ACLK4
SCHEMBL4812787 0.70 LTK (0.48) RAB9ALTKAURKBPLK4DAPK3
SCHEMBL6086189 0.69 MAPT (0.71) POLBNPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL4577136 0.69 SMYD3 (0.56) CASP3ALDH1A1HTTSMN1; SMN2
SCHEMBL4866115 0.69 NPC1 (0.64) RAB9APOLBNPC1KMT2AALDH1A1
SCHEMBL20456217 0.69 NPC1 (0.60) RAB9APOLBNPC1KMT2AALDH1A1

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-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 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-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 RAB9A 2364/4885POLB 1867/4885CASP3 2715/4885

“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.