SCHEMBL4281362

SCHEMBL4281362

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)cc2C(F)(F)F)c2c1CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 4/20 0.39
SOS1 Q07889 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
PDK2 Q15119 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
NAMPT P43490 1/20 0.38
CYP2C19 P33261 1/20 0.37
WDR5 P61964 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ESR2 Q92731 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
NR2F2 P24468 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL15338600 0.92 ALK (0.42) ALKPDK2MAPTALDH1A1HTT
SCHEMBL2921535 0.86 SMN1; SMN2 (0.48) ALKSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4282647 0.86 TAAR1 (0.43) WDR5
SCHEMBL1889538 0.86 KIT (0.39) ALKSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4285119 0.83 ALK (0.39) ALKWDR5NPC1
Hydrochloric Acid SCHEMBL4285112 0.83 ALK (0.38) ALKWDR5NPC1
SCHEMBL1890065 0.82 SIRT6 (0.40) SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL4283449 0.82 IGF1R (0.42) ALKSMN1; SMN2PDK2MEN1KMT2A
SCHEMBL4282875 0.80 IGF1R (0.45) ALKSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL2929524 0.80 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AMAPTTSHR

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-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 US disclosed
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 EP disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 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-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS MAP3K19, CDK2, MAP3K1 ALK 443/4885SOS1 3335/4885SMN1; SMN2 4419/4885

“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.