SCHEMBL1945935

SCHEMBL1945935

COc1ccc(Nc2ncccc2C(=O)Nc2ccc(F)cc2)cc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.63
KMT2A Q03164 7/20 0.63
MAPT P10636 5/20 0.63
GAA P10253 3/20 0.63
KDR P35968 2/20 0.62
MET P08581 6/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 2/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
NTRK1 P04629 1/20 0.55
FLT3 P36888 1/20 0.55
AXL P30530 2/20 0.54
DHODH Q02127 1/20 0.53
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53

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
SCHEMBL1946697 0.84 KDR (0.64) MEN1KMT2AMAPTGAAKDR
SCHEMBL29251382 0.83 MET (0.67) MEN1KMT2AMAPTKDRMET
SCHEMBL29251433 0.82 MET (0.64) MEN1KMT2AMAPTGAAKDR
SCHEMBL29251419 0.82 MET (0.86) MEN1KMT2AMAPTKDRMET
SCHEMBL30844446 0.82 MET (0.64) MEN1KMT2AMAPTGAAKDR
SCHEMBL29251351 0.82 MET (0.61) MEN1KMT2AMAPTKDRMET
SCHEMBL29251352 0.81 MET (0.67) KDRMETNTRK1FLT3AXL
SCHEMBL29251346 0.80 MET (0.69) MEN1KMT2AMAPTKDRMET
SCHEMBL29251366 0.79 MET (0.62) MEN1KMT2AMAPTKDRMET
SCHEMBL12075407 0.79 AXL (0.52) MEN1KMT2AMAPTGAAKDR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-02 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
EP-2193130-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-06-09 EP disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
WO-2009033084-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-03-12 WO disclosed
EP-2001880-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2008-12-17 EP disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
WO-2007103308-A2 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-09-13 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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 MEN1 2329/4885KMT2A 4800/4885MAPT 538/4885
US-20110130406-A1 PYRAZOLO-PYRIDINES AS TYROSINE KINASE INHIBITORS TYRO3, LCK, LTK MEN1 2342/4885KMT2A 3787/4885MAPT 329/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 MEN1 2329/4885KMT2A 4800/4885MAPT 538/4885

“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.