SCHEMBL1987371

SCHEMBL1987371

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(N3CCN(C)CC3)cc1)CN(C(=O)N(Cl)c1ccccc1Cl)C2(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
BTK Q06187 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
F10 P00742 2/20 0.36
NTRK1 P04629 2/20 0.36
NTRK3 Q16288 2/20 0.36
NTRK2 Q16620 2/20 0.36
GAA P10253 1/20 0.36
ESR2 Q92731 1/20 0.36
AURKA O14965 3/20 0.36
AURKB Q96GD4 2/20 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
SCHEMBL1983449 0.88 HDAC1 (0.32) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1987368 0.87 AURKA (0.42) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1983235 0.86 LMNA (0.37) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4285407 0.83 MEN1 (0.43) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1983907 0.80 LMNA (0.39) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1983796 0.80 NTRK1 (0.44) MEN1KMT2ANPC1RAB9ABTK
SCHEMBL1985468 0.78 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL1985467 0.77 MEN1 (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1984888 0.77 ALDH1A1 (0.34) KMT2AMAPTHPGDTSHRGAA
SCHEMBL1205765 0.76 ALDH1A1 (0.41) NPC1RAB9AHPGDTSHRNTRK1

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 MEN1 4076/4885KMT2A 1690/4885NPC1 3933/4885
US-20120277248-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K3, MAP3K15 MEN1 4076/4885KMT2A 1690/4885NPC1 3933/4885

“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.