SCHEMBL1987005

SCHEMBL1987005

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)cc2N(CCOC)C(=O)C(F)(F)F)c2c1C(C)(C)N(C(=O)Nc1c(Cl)cccc1Cl)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 6/20 0.33
INSR P06213 3/20 0.33
ALK Q9UM73 3/20 0.33
DGAT1 O75907 4/20 0.32
CDK11A Q9UQ88 1/20 0.31
AURKA O14965 2/20 0.31
AURKB Q96GD4 2/20 0.31
FGFR1 P11362 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
FLT3 P36888 1/20 0.31
LIMK1 P53667 1/20 0.31
LIMK2 P53671 1/20 0.31
AURKC Q9UQB9 1/20 0.31
IGF1R P08069 1/20 0.31
P2RY12 Q9H244 1/20 0.31
NTRK1 P04629 1/20 0.31
NTRK3 Q16288 1/20 0.31
NTRK2 Q16620 1/20 0.31
LCK P06239 1/20 0.31

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
SCHEMBL3817856 0.91 SRC (0.32) SRCINSRALKDGAT1CDK11A
SCHEMBL1987643 0.90 INSR (0.35) SRCINSRALKDGAT1CDK11A
SCHEMBL1987008 0.90 INSR (0.33) SRCINSRALKAURKAAURKB
SCHEMBL1985484 0.88 ALK (0.34) INSRALKAURKAAURKBFLT3
SCHEMBL1984180 0.84 ALK (0.37) INSRALKAURKAAURKBFGFR1
Hydrochloric Acid SCHEMBL1984175 0.83 ALK (0.36) INSRALKAURKAAURKBFGFR1
SCHEMBL1986383 0.82 SIRT6 (0.39) SRCDGAT1CDK11AAURKAAURKB
SCHEMBL1987647 0.81 INSR (0.35) INSRALKAURKAAURKBFGFR1
SCHEMBL3485255 0.78 ALK (0.37) INSRALKAURKAAURKBIGF1R
SCHEMBL3813188 0.75 ALK (0.36) INSRALKAURKAAURKBFGFR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8623876-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-01-07 US disclosed
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-01 US disclosed
US-8227472-B2 Substituted pyrrolo-pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-07-24 US disclosed
EP-2089394-B1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2011-06-29 EP disclosed
US-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-14 US disclosed
EP-2089394-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2009-08-19 EP disclosed
WO-2008043745-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2008-04-17 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-20100010008-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 SRC 143/4885INSR 1027/4885ALK 439/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 SRC 143/4885INSR 1027/4885ALK 439/4885

“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.