SCHEMBL2369386

SCHEMBL2369386

Nc1ncc2[nH]ccc2c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.38
PRKCI P41743 3/20 0.36
MAPK1 P28482 1/20 0.35
ATR Q13535 1/20 0.33
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PDPK1 O15530 2/20 0.32
JAK2 O60674 2/20 0.32
DYRK1B Q9Y463 2/20 0.31
IGF1R P08069 1/20 0.31
CDK2 P24941 1/20 0.31
HTR6 P50406 1/20 0.31
CYP2A6 P11509 1/20 0.31
NR4A2 P43354 1/20 0.31
GSK3A P49840 1/20 0.30
GSK3B P49841 1/20 0.30
RHEB Q15382 1/20 0.30
FGFR2 P21802 1/20 0.30
FLT3 P36888 1/20 0.30
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL22576013 0.77 AHR (0.38) AHRPRKCIMAPK1DYRK1BIGF1R
SCHEMBL30501979 0.77 AHR (0.38) AHRPRKCIMAPK1DYRK1BIGF1R
SCHEMBL2674872 0.77 AHR (0.38) AHRPRKCIMAPK1JAK2DYRK1B
SCHEMBL18125527 0.77 KDR (0.38) AHRATRDYRK1BIGF1RCDK2
SCHEMBL113504 0.73 BRD4 (0.39) AHRPRKCIMAPK1KMT2ADYRK1B
SCHEMBL19891457 0.71 IDO1 (0.47) MAPK1HTTKMT2APDPK1JAK2
SCHEMBL31432146 0.69 AHR (0.47) AHRPRKCIMAPK1HTR6CYP2A6
SCHEMBL18529441 0.69 AHR (0.47) AHRPRKCIMAPK1HTR6CYP2A6
SCHEMBL14329063 0.69 TTBK1 (0.38) CDK2LRRK2
SCHEMBL397818 0.68 KDM4E (0.34) AHRATRPDPK1DYRK1A

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-20120329826-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES OSI Pharmaceuticals,. LLC 2012-12-27 US disclosed
US-20120329826-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES OSI Pharmaceuticals,. LLC 2012-12-27 US disclosed
US-20120329826-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES OSI Pharmaceuticals,. LLC 2012-12-27 US disclosed
WO-2011109593-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES OSI Pharmaceuticals, LLC (US) 2011-09-09 WO disclosed
WO-2011109593-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES OSI Pharmaceuticals, LLC (US) 2011-09-09 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 (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-20120329826-A1 SUBSTITUTED-5-AMINOPYRROLO/PYRAZOLOPYRIDINES MET, KRAS, VHL AHR 516/4885PRKCI 3351/4885MAPK1 1153/4885

“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.