SCHEMBL1038366

SCHEMBL1038366

CNCc1cccc(N2C=NC=CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT6 Q96LA8 9/20 0.50
PARP1 P09874 2/20 0.38
EPHX2 P34913 1/20 0.38
CACNA2D1 P54289 1/20 0.37
NOS1 P29475 4/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
HTR7 P34969 1/20 0.33
CARM1 Q86X55 2/20 0.32
NOS2 P35228 1/20 0.32
NOS3 P29474 2/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
AKT2 P31751 1/20 0.32
PRMT8 Q9NR22 1/20 0.31

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
SCHEMBL2677295 0.71 HPGD (0.38) KDM4ECYP3A4MAPT
SCHEMBL1038367 0.70 PRMT6 (0.51) PRMT6PARP1EPHX2CACNA2D1NOS1
SCHEMBL5621913 0.68 PRMT6 (0.97) PRMT6CACNA2D1KDM4ECYP3A4MAPT
SCHEMBL1036548 0.67 PRMT6 (1.00) PRMT6CACNA2D1KDM4EMAPT
SCHEMBL1697126 0.67 MAPT (0.64) PRMT6PARP1EPHX2NOS1KDM4E
Hydrochloric Acid SCHEMBL3273205 0.65 MAPT (0.68) PRMT6PARP1EPHX2NOS1KDM4E
SCHEMBL1038303 0.65 PRMT6 (0.72) PRMT6KDM4ECYP3A4MAPT
SCHEMBL13452467 0.65 LMNA (0.57) PRMT6PARP1EPHX2KDM4EMAPT
SCHEMBL10154296 0.64 PRMT6 (0.50) PRMT6PARP1EPHX2NOS1KDM4E
SCHEMBL29455232 0.63 TAAR1 (0.66) PRMT6EPHX2NOS1KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 EP disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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 (1 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-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 CCR10, CCR1, CCR4 PRMT6 1419/4885PARP1 3589/4885EPHX2 482/4885

“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.