SCHEMBL1987008

SCHEMBL1987008

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)cc2N(CCOC)C(=O)C(F)(F)F)c2c1C(C)(C)N(C(=O)N(Cl)c1ccccc1Cl)C2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INSR P06213 4/20 0.33
ALK Q9UM73 4/20 0.33
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
DHODH Q02127 1/20 0.32
BTK Q06187 1/20 0.31
FGFR1 P11362 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
AURKA O14965 1/20 0.31
IGF1R P08069 1/20 0.31
AURKB Q96GD4 1/20 0.31
SRC P12931 2/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL1987647 0.91 INSR (0.35) INSRALKKITFLT3DHODH
SCHEMBL1987005 0.90 SRC (0.33) INSRALKFLT3FGFR1NPC1
SCHEMBL1985484 0.87 ALK (0.34) INSRALKKITFLT3AURKA
SCHEMBL1984180 0.85 ALK (0.37) INSRALKKITFLT3BTK
Hydrochloric Acid SCHEMBL1984175 0.84 ALK (0.36) INSRALKKITFLT3BTK
SCHEMBL1986387 0.84 SIRT6 (0.39) NPC1RAB9AMEN1LMNAKMT2A
SCHEMBL3817856 0.83 SRC (0.32) INSRALKFLT3DHODHBTK
SCHEMBL1987643 0.82 INSR (0.35) INSRALKFLT3DHODHFGFR1
SCHEMBL3485255 0.79 ALK (0.37) INSRALKAURKAIGF1RAURKB
SCHEMBL3813188 0.77 ALK (0.36) INSRALKKITFLT3BTK

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 5 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

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 INSR 1027/4885ALK 439/4885KIT 762/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 INSR 1027/4885ALK 439/4885KIT 762/4885

“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.