SCHEMBL21325745

SCHEMBL21325745

Cc1cnc(C(=O)c2ccnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(C)C)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.60
CCR2 P41597 5/20 0.59
CYP2C9 P11712 4/20 0.48
TNNI3K Q59H18 2/20 0.37
BRAF P15056 1/20 0.37
NUDT1 P36639 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RAB9A P51151 1/20 0.36
ADAM17 P78536 1/20 0.36
KLF5 Q13887 1/20 0.36
CYP2C19 P33261 2/20 0.36
CCR4 P51679 2/20 0.36
PIK3C3 Q8NEB9 1/20 0.36
CCR9 P51686 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CCR5 P51681 1/20 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
SCHEMBL1762431 0.92 CYP2C9 (0.57) CYP3A4CCR2CYP2C9TNNI3KBRAF
SCHEMBL12594251 0.91 CYP3A4 (0.63) CYP3A4CCR2CYP2C9TNNI3KBRAF
SCHEMBL1762385 0.87 CYP3A4 (0.79) CYP3A4CCR2CYP2C9
SCHEMBL26066327 0.86 CYP3A4 (0.56) CYP3A4CCR2CYP2C9TNNI3KNUDT1
SCHEMBL1762314 0.83 CYP2C9 (0.58) CYP3A4CCR2CYP2C9TNNI3KBRAF
SCHEMBL1762514 0.82 CYP2C9 (0.61) CYP3A4CCR2CYP2C9CYP2C19CCR4
SCHEMBL1762423 0.82 CYP2C9 (0.56) CYP3A4CCR2CYP2C9NUDT1CYP2C19
SCHEMBL22461745 0.81 CYP3A4 (0.67) CYP3A4CCR2CYP2C9TNNI3KNUDT1
SCHEMBL12648498 0.81 CYP2C9 (0.57) CYP3A4CCR2CYP2C9TNNI3KBRAF
SCHEMBL12594373 0.81 CYP2C9 (0.55) CYP3A4CCR2CYP2C9TNNI3KNUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. 2023-08-24 US disclosed
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. 2023-08-24 US disclosed
US-20210346361-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-11-11 US disclosed
US-20200297708-A1 Combination Therapy Using a Chemokine Receptor 2 (CCR2) Antagonist and a PD-1 and/or PD-L1 Inhibitor NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-09-24 US disclosed
WO-2020191240-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1 AND/OR PD-L1 INHIBITOR CHEMOCENTRYX, INC. (US) 2020-09-24 WO disclosed
US-20190275015-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CHEMOCENTRYX, INC. 2019-09-12 US disclosed
US-20190269664-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CHEMOCENTRYX, INC. 2019-09-05 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-20210346361-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CCR2, CXCR2, CCRL2 CYP3A4 3623/4885CCR2 1/4885CYP2C9 3132/4885
US-20190275015-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CCR2, PDCD1LG2, CD274 CYP3A4 3935/4885CCR2 1/4885CYP2C9 3501/4885
US-20200297708-A1 Combination Therapy Using a Chemokine Receptor 2 (CCR2) Antagonist and a PD-1 and/or PD-L1 Inhibitor PDCD1LG2, CCR2, CD274 CYP3A4 4440/4885CCR2 2/4885CYP2C9 4045/4885
US-20190269664-A1 METHODS OF TREATING SOLID TUMORS WITH CCR2 ANTAGONISTS CCR2, CXCR2, CCRL2 CYP3A4 3623/4885CCR2 1/4885CYP2C9 3132/4885
US-20230263784-A1 COMBINATION THERAPY USING A CHEMOKINE RECEPTOR 2 (CCR2) ANTAGONIST AND A PD-1/PD-L1 INHIBITOR CCR2, PDCD1LG2, CD274 CYP3A4 3935/4885CCR2 1/4885CYP2C9 3501/4885

“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.