SCHEMBL397031

SCHEMBL397031

Nc1nncc2cn[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
CHEK1 O14757 2/20 0.38
RET P07949 2/20 0.36
LRRK2 Q5S007 2/20 0.36
PI4KA P42356 1/20 0.36
XDH P47989 1/20 0.36
PI4K2B Q8TCG2 1/20 0.36
PI4K2A Q9BTU6 1/20 0.36
PI4KB Q9UBF8 1/20 0.36
NOS1 P29475 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ROCK1 Q13464 2/20 0.35
HPGD P15428 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
ROCK2 O75116 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
SCHEMBL31201277 1.00 MAPT (0.41) MAPTCHEK1RETLRRK2PI4KA
SCHEMBL1155016 0.74 NOS1 (0.35) MAPTCHEK1RETLRRK2NOS1
SCHEMBL402053 0.68 MAPT (0.48) MAPTCHEK1RETLRRK2PI4KA
SCHEMBL402123 0.68 AHR (0.36)
SCHEMBL399660 0.65 IDO1 (0.41) MAPTCHEK1RETLRRK2PI4KA
SCHEMBL30414670 0.65 IDO1 (0.41) MAPTCHEK1RETLRRK2PI4KA
SCHEMBL12067032 0.63 NT5E (0.38) MAPTNOS1
SCHEMBL2271171 0.63 MAPT (0.61) MAPTCHEK1RETLRRK2NOS1
SCHEMBL4564464 0.62 HSD17B10 (0.50) MAPTCHEK1RETLRRK2XDH
SCHEMBL1481914 0.61 C1S (0.34) KDM4E

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630768-A1 (HETERO)ARYLALKYLAMINO-PYRAZOLOPYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2020-04-08 EP disclosed
WO-2018219927-A1 (HETERO)ARYLALKYLAMINO-PYRAZOLOPYRIDAZINE DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2018-12-06 WO disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8735405-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-05-27 US disclosed
US-8653268-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2014-02-18 US disclosed
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 US disclosed
US-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI Pharmaceuticals, LLC 2013-07-25 US disclosed
US-8367826-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-02-05 US disclosed
US-8367826-B2 6,6-bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-02-05 US disclosed
EP-1957496-B1 BICYCLIC PROTEIN KINASE INHIBITORS OSI PHARM INC (US) 2012-10-24 EP disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-7534797-B2 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. (US) 2009-05-19 US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-05-07 US disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
US-20070149521-A1 Bicyclic protein kinase inhibitors OSI PHARMACEUTICALS, INC. 2007-06-28 US disclosed
WO-2007064993-A2 BICYCLIC PROTEIN KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2007-06-07 WO disclosed
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors ACERTA PHARMA B.V. (NL) 2006-10-19 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 (4 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-20130190496-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 MAPT 1546/4885CHEK1 188/4885RET 686/4885
US-20090118499-A1 6,6-Bicyclic Ring Substituted Heterobicyclic Protein Kinase Inhibitors IGF1R, MAP2K7, BRCA1 MAPT 1546/4885CHEK1 188/4885RET 686/4885
US-20070149521-A1 Bicyclic protein kinase inhibitors CDK1, MAP4K2, MAP4K3 MAPT 1073/4885CHEK1 177/4885RET 1032/4885
US-20060235031-A1 6,6-Bicyclic ring substituted heterobicyclic protein kinase inhibitors IGF1R, MAP2K7, BRCA1 MAPT 1546/4885CHEK1 188/4885RET 686/4885

“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.