SCHEMBL3104627

SCHEMBL3104627

COc1ccc(Cn2nc(I)c3c(Oc4cc(Cl)c(N)cc4F)ccnc32)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 6/20 0.34
MAPT P10636 3/20 0.34
HDAC1 Q13547 1/20 0.33
MCHR1 Q99705 1/20 0.32
POLB P06746 1/20 0.32
BUB1 O43683 1/20 0.32
CSF1R P07333 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL3104671 0.90 MEN1 (0.37) NPBWR1MAPTMCHR1POLBBUB1
SCHEMBL3114532 0.90 NR3C1 (0.37) NPBWR1MCHR1
SCHEMBL1944519 0.87 AXL (0.38) MAPTHDAC1POLBBUB1CSF1R
SCHEMBL4872209 0.87 JAK2 (0.38) MCHR1MEN1KMT2A
SCHEMBL3112648 0.85 MAPT (0.35) NPBWR1MAPTMEN1KMT2A
SCHEMBL25245155 0.84 BTK (0.36) NPBWR1MAPTMCHR1POLBCSF1R
SCHEMBL30406047 0.84 BTK (0.36) NPBWR1MAPTMCHR1POLBCSF1R
SCHEMBL3108627 0.82 CYP1A2 (0.39) MAPT
SCHEMBL30310266 0.81 BTK (0.44) NPBWR1MAPTMCHR1POLB
SCHEMBL3112384 0.81 JAK2 (0.40) MCHR1MEN1KMT2A

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 NPBWR1 863/4885MAPT 538/4885HDAC1 2198/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 NPBWR1 863/4885MAPT 538/4885HDAC1 2198/4885

“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.