SCHEMBL8460938

SCHEMBL8460938

Cc1ccc(Oc2ccccc2F)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.66
MEN1 O00255 2/20 0.66
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 2/20 0.45
ESR1 P03372 1/20 0.45
MAP4K4 O95819 1/20 0.44
HPGD P15428 1/20 0.43
KEAP1 Q14145 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
MRGPRX1 Q96LB2 4/20 0.41
HSPB1 P04792 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL18181865 0.87 KMT2A (0.50) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL18181837 0.83 MEN1 (0.46) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL8469819 0.83 HSPB1 (0.59) KMT2AMEN1KDM4EMAP4K4HSPB1
SCHEMBL510244 0.79 KMT2A (0.66) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL6304413 0.79 KMT2A (1.00) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL20041026 0.78 KMT2A (0.59) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL16792671 0.77 KMT2A (0.67) KMT2AMEN1KDM4EALDH1A1ESR1
SCHEMBL17440373 0.77 KMT2A (0.70) KMT2AMEN1POLBMAP4K4HPGD
SCHEMBL15177160 0.76 KMT2A (0.57) KMT2AMEN1ALDH1A1ESR1MAP4K4
SCHEMBL14654786 0.76 KEAP1 (0.71) KMT2AMEN1KDM4EALDH1A1HPGD

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-9556150-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-01-31 US disclosed
US-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE CHUGAI PHARMACEUTICAL CO. (JP) 2016-10-27 US disclosed
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188291-B2 Heteroaryl-substituted carboxamides and their use as pharmaceuticals SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
WO-2008077507-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND USE THEREOF FOR THE STIMULATION OF THE EXPRESSION OF NO SYNTHASE SANOFI-AVENTIS (FR) 2008-07-03 WO disclosed
EP-1939181-A1 Heteroaryl-substituted carboxamides and use thereof for the stimulation of the expression of NO synthase sanofi-aventis (FR) 2008-07-02 EP 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-20160311801-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN KMT2A 2113/4885MEN1 3945/4885KDM4E 1663/4885
US-20100016337-A1 HETEROARYL-SUBSTITUTED CARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS TBXAS1, PTGIS, NOS2 KMT2A 1573/4885MEN1 3768/4885KDM4E 908/4885

“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.