SCHEMBL1371041

SCHEMBL1371041

CCOC(=O)n1nc2c(c1NC(=O)c1ccc(N3CCOCC3)cc1N)CN(S(=O)(=O)c1cc(F)cc(F)c1)C2(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.37
NTRK3 Q16288 2/20 0.37
NTRK2 Q16620 2/20 0.37
LGMN Q99538 1/20 0.36
IGF1R P08069 4/20 0.35
INSR P06213 1/20 0.35
ALK Q9UM73 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.34
HSD17B10 Q99714 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPK1 P28482 1/20 0.34
CREBBP Q92793 1/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 3/20 0.33
MAPK14 Q16539 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL1372986 0.93 ALK (0.43) NTRK1NTRK3NTRK2IGF1RINSR
Hydrochloric Acid SCHEMBL1372982 0.92 ALK (0.42) NTRK1NTRK3NTRK2IGF1RINSR
Hydrochloric Acid SCHEMBL4278059 0.92 ALK (0.42) NTRK1NTRK3NTRK2IGF1RINSR
SCHEMBL1372416 0.90 ALDH1A1 (0.36) NTRK1NTRK3NTRK2SMN1; SMN2HSD17B10
SCHEMBL1372652 0.89 USP2 (0.34) IGF1RSMN1; SMN2HSD17B10MAPTMEN1
SCHEMBL1372185 0.87 IGF1R (0.49) NTRK1NTRK3NTRK2IGF1RSMN1; SMN2
SCHEMBL4278006 0.87 LGMN (0.37) NTRK1NTRK3NTRK2LGMNIGF1R
SCHEMBL1370571 0.86 IGF1R (0.41) NTRK1NTRK3NTRK2IGF1RINSR
SCHEMBL1372178 0.86 ALDH1A1 (0.33) IGF1RMAPTMEN1KMT2AGAA
SCHEMBL1373008 0.86 SMN1; SMN2 (0.34) IGF1RSMN1; SMN2HSD17B10NPSR1MAPK1

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 10 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-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-1963326-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2008-09-03 EP 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 NTRK1 1106/4885NTRK3 892/4885NTRK2 1695/4885
US-20090163503-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 NTRK1 1363/4885NTRK3 1220/4885NTRK2 2200/4885
US-20110288088-A1 SUBSTITUTED PYRROLO-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS MAP3K5, MAP3K19, MAP3K3 NTRK1 1363/4885NTRK3 1220/4885NTRK2 2200/4885

“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.