SCHEMBL5496729

SCHEMBL5496729

COc1ccc(Cl)cc1C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
CYP1A2 P05177 1/20 0.72
POLB P06746 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
TMPRSS4 Q9NRS4 2/20 0.70
P2RX1 P51575 2/20 0.70
SLC2A1 P11166 1/20 0.70
P2RX4 Q99571 1/20 0.70
P2RX7 Q99572 1/20 0.70
RXFP1 Q9HBX9 5/20 0.67
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
ALDH1A1 P00352 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
KCNMA1 Q12791 1/20 0.59
LRRK2 Q5S007 1/20 0.58

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
SCHEMBL11680849 0.89 P2RX1 (0.72) MEN1KMT2ACYP1A2POLBCYP3A4
SCHEMBL16709939 0.89 TMPRSS4 (0.68) MEN1KMT2ACYP1A2POLBCYP3A4
SCHEMBL5757242 0.86 ALDH1A1 (0.72) MEN1KMT2APOLBTMPRSS4P2RX1
SCHEMBL22025011 0.86 RXFP1 (0.67) MEN1KMT2ACYP1A2POLBCYP3A4
SCHEMBL22025431 0.86 RXFP1 (0.67) MEN1KMT2ACYP1A2POLBCYP3A4
SCHEMBL5491795 0.85 RXFP1 (0.88) KMT2ACYP1A2POLBCYP3A4CYP2C19
SCHEMBL7803873 0.84 MEN1 (0.61) MEN1KMT2ACYP1A2POLBCYP3A4
SCHEMBL1353005 0.84 RXFP1 (0.64) RXFP1LMNAMAPTHDAC8
SCHEMBL22025523 0.83 RXFP1 (0.63) MEN1KMT2AP2RX1RXFP1LMNA
SCHEMBL330629 0.83 TMPRSS4 (1.00) MEN1KMT2ATMPRSS4P2RX1SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
US-8557996-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2013-10-15 US disclosed
EP-1802586-B1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC (US) 2013-04-24 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-7776869-B2 Heteroaryl-substituted alkyne compounds and method of use AMGEN INC. (US) 2010-08-17 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
US-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2010-06-24 US disclosed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 US disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 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-20100160283-A1 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE IRAK3, IRAK1, MAP3K1 MEN1 2830/4885KMT2A 1492/4885CYP1A2 212/4885
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 MEN1 2987/4885KMT2A 1204/4885CYP1A2 312/4885

“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.