SCHEMBL1372986

SCHEMBL1372986

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(N3CCN(C)CC3)cc1N)CN(S(=O)(=O)c1cc(F)cc(F)c1)C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.43
INSR P06213 12/20 0.43
IGF1R P08069 10/20 0.43
NTRK1 P04629 4/20 0.36
NTRK3 Q16288 4/20 0.36
NTRK2 Q16620 3/20 0.36
PLK4 O00444 2/20 0.35
DAPK3 O43293 2/20 0.35
PRKCG P05129 2/20 0.35
ROS1 P08922 2/20 0.35
FER P16591 2/20 0.35
LTK P29376 2/20 0.35
FRK P42685 2/20 0.35
MST1R Q04912 2/20 0.35
PTK2 Q05397 2/20 0.35
TNK2 Q07912 2/20 0.35
MAP4K5 Q9Y4K4 2/20 0.35
WEE1 P30291 1/20 0.35
MAPK8 P45983 1/20 0.35
DYRK1B Q9Y463 1/20 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
Hydrochloric Acid SCHEMBL4278059 0.99 ALK (0.42) ALKINSRIGF1RNTRK1NTRK3
Hydrochloric Acid SCHEMBL1372982 0.99 ALK (0.42) ALKINSRIGF1RNTRK1NTRK3
SCHEMBL4279723 0.93 IGF1R (0.40) ALKINSRIGF1RNTRK1NTRK3
SCHEMBL1371041 0.93 NTRK1 (0.37) ALKINSRIGF1RNTRK1NTRK3
SCHEMBL4787339 0.92 IGF1R (0.40) ALKINSRIGF1RNTRK1NTRK3
SCHEMBL4291575 0.89 IGF1R (0.49) ALKINSRIGF1RNTRK1NTRK3
SCHEMBL1371541 0.89 IGF1R (0.38) ALKIGF1RNTRK1NTRK3NTRK2
SCHEMBL1372652 0.89 USP2 (0.34) IGF1RHDAC2
SCHEMBL1887045 0.89 IGF1R (0.43) ALKINSRIGF1RNTRK1NTRK3
Hydrochloric Acid SCHEMBL1887042 0.89 IGF1R (0.42) ALKINSRIGF1RNTRK1NTRK3

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 14 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-8461193-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-06-11 US disclosed
US-20110288088-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.I. (IT) 2011-11-24 US disclosed
US-7968583-B2 Substituted pyrrolo-pyrazole derivatives active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-28 US disclosed
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-06-25 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
EP-1999131-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-10 EP disclosed
EP-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP disclosed
WO-2007099171-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-09-07 WO disclosed
WO-2007068637-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-21 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 (3 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 443/4885INSR 773/4885IGF1R 530/4885
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 ALK 459/4885INSR 956/4885IGF1R 737/4885
US-20110288088-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 ALK 459/4885INSR 956/4885IGF1R 737/4885

“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.