SCHEMBL18255653

SCHEMBL18255653

CNCc1cc(C#N)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
RXRA P19793 1/20 0.43
RXRG P48443 1/20 0.43
TAS2R14 Q9NYV8 1/20 0.38
KIF11 P52732 1/20 0.38
NOS3 P29474 4/20 0.38
NOS1 P29475 4/20 0.38
MRGPRX4 Q96LA9 4/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
XDH P47989 1/20 0.36
TACR1 P25103 1/20 0.35
VNN1 O95497 2/20 0.35

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
SCHEMBL18252840 0.84 RXRA (0.40) RXRARXRGTAS2R14KIF11MRGPRX4
SCHEMBL681508 0.83 IDO1 (0.47) MRGPRX4TACR1
SCHEMBL172834 0.82 RXRA (0.46) RXRARXRGTAS2R14KIF11MRGPRX4
SCHEMBL21900404 0.82 RXRA (0.39) RXRARXRGTAS2R14KIF11MRGPRX4
Hydrochloric Acid SCHEMBL1970955 0.81 IDO1 (0.48) MRGPRX4TACR1
SCHEMBL17319636 0.80 RXRA (0.47) RXRARXRGTAS2R14KIF11MRGPRX4
SCHEMBL24108532 0.79 RXRA (0.46) RXRARXRGTAS2R14KIF11MRGPRX4
SCHEMBL129227 0.79 RXRA (0.49) RXRARXRGTAS2R14KIF11MRGPRX4
SCHEMBL2390020 0.79 RXRA (0.49) RXRARXRGTAS2R14KIF11MRGPRX4
SCHEMBL130428 0.79 RXRA (0.46) RXRARXRGTAS2R14KIF11MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11154556-B2 Methods of treating solid tumors with CCR2 antagonists CHEMOCENTRYX, INC. (US) 2021-10-26 US disclosed
EP-3297438-B1 CCR2 MODULATORS CHEMOCENTRYX INC (US) 2021-10-20 EP disclosed
US-20190269664-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CHEMOCENTRYX, INC. 2019-09-05 US disclosed
US-20190209573-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-07-11 US disclosed
WO-2019136368-A2 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CHEMOCENTRYX, INC. (US) 2019-07-11 WO disclosed
WO-2019060820-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. (US) 2019-03-28 WO disclosed
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2018-03-29 US disclosed
US-9783540-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2017-10-10 US disclosed
US-20160340356-A1 CCR2 MODULATORS CHEMOCENTRYX, INC. 2016-11-24 US 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 (5 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-20190209573-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CCR2, CXCR2, CCRL2 LOXL2 568/4885RXRA 474/4885RXRG 496/4885
US-11154556-B2 Methods of treating solid tumors with CCR2 antagonists CCR2, CXCR2, CCRL2 LOXL2 568/4885RXRA 474/4885RXRG 496/4885
US-20180086756-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 LOXL2 1993/4885RXRA 402/4885RXRG 316/4885
US-20190269664-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CCR2, CXCR2, CCRL2 LOXL2 629/4885RXRA 499/4885RXRG 505/4885
US-20160340356-A1 CCR2 MODULATORS CCR2, CCR1, CCR5 LOXL2 1201/4885RXRA 247/4885RXRG 161/4885

“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.