SCHEMBL928343

SCHEMBL928343

Cc1c(N)ccc2cc(C=O)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
PARP1 P09874 3/20 0.35
PDPK1 O15530 3/20 0.35
RPS6KA3 P51812 2/20 0.33
DAPK3 O43293 1/20 0.33
PRKD3 O94806 1/20 0.33
FLT1 P17948 1/20 0.33
LRRK2 Q5S007 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PTGER4 P35408 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
CYP2A6 P11509 1/20 0.31
DHFR P00374 1/20 0.30

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
SCHEMBL29952549 1.00 CCR1 (0.39) CCR1CCR5CCR8PARP1PDPK1
SCHEMBL29022258 0.80 CCR1 (0.46) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL20036787 0.78 CCR1 (0.68) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL24596414 0.73 CCR1 (0.37) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL26590078 0.73 PARP1 (0.43) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL6242670 0.70 RPS6KA3 (0.41) CCR1CCR5CCR8PDPK1RPS6KA3
SCHEMBL27569632 0.70 CCR1 (0.57) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL6698156 0.70 ABCG2 (0.38) CCR1CCR5CCR8PARP1KDM4E
SCHEMBL28751203 0.69 MCHR1 (0.37) CCR1CCR5CCR8PARP1PDPK1
SCHEMBL5645444 0.68 MCHR1 (0.53)

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-20110015225-A1 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-20 US disclosed
EP-2261213-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-12-15 EP disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050209213-A1 Quinoline compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-22 US disclosed
CN-1585751-A Quinoline compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-23 CN disclosed
EP-1447402-A1 QUINOLINE COMPOUND Takeda Chemical Industries, Ltd. (JP) 2004-08-18 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-20110015225-A1 Heterocyclic compound MC1R, MCHR1, MCHR2 CCR1 1243/4885CCR5 1042/4885CCR8 1657/4885
US-20050209213-A1 Quinoline compound MC1R, MC2R, TYR CCR1 1614/4885CCR5 2067/4885CCR8 3232/4885

“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.