SCHEMBL3111179

SCHEMBL3111179

COc1ccc(Cn2ncc3c(Oc4ccc(N)cc4F)ccnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AXL P30530 2/20 0.42
ACVR1B P36896 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPBWR1 P48145 5/20 0.39
PDE1B Q01064 3/20 0.38

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
SCHEMBL2793864 0.87 ALDH1A1 (0.50) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL1943821 0.84 MAPT (0.43) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL30310245 0.84 MAPT (0.43) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL3104428 0.82 CYP1A2 (0.39) MAPTAXLCYP1A2
SCHEMBL1944519 0.81 AXL (0.38) MAPTAXLPOLBTRPA1MET
SCHEMBL3107429 0.79 AXL (0.36) MAPTAXLPOLBPDE1BTRPA1
SCHEMBL3104365 0.78 AXL (0.36) MAPTAXLPOLBPDE1BMET
SCHEMBL3107915 0.78 AXL (0.45) ALDH1A1AXLCYP17A1CYP1A2TRPA1
SCHEMBL21777935 0.77 AXL (0.36) MAPTAXLACVR1BTGFBR1ACVRL1
SCHEMBL28780214 0.77 BTK (0.42) MAPTSMN1; SMN2NPSR1AXLHTT

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-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US 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 (2 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 ALDH1A1 1929/4885LMNA 1962/4885MAPT 538/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 ALDH1A1 1929/4885LMNA 1962/4885MAPT 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.