SCHEMBL20853333

SCHEMBL20853333

COc1ccc(Cn2c(C=O)cc3cc(F)ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.48
PTGS2 P35354 3/20 0.48
TBXA2R P21731 1/20 0.47
PIK3R1 P27986 1/20 0.46
PIK3CA P42336 1/20 0.46
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
RGS4 P49798 1/20 0.44
RGS8 P57771 1/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 3/20 0.43

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
SCHEMBL30229786 1.00 CCR2 (0.48) CCR2PTGS2TBXA2RPIK3R1PIK3CA
SCHEMBL20853274 0.90 RGS4 (0.44) CCR2PTGS2TBXA2RPIK3R1PIK3CA
SCHEMBL20853114 0.85 CCR9 (0.48) CCR2PTGS2RGS4RGS8KDM4E
SCHEMBL18247571 0.83 P2RX4 (0.53) CCR2KDM4ELMNANPSR1ALDH1A1
SCHEMBL30229439 0.83 P2RX4 (0.53) CCR2KDM4ELMNANPSR1ALDH1A1
SCHEMBL6867972 0.82 ALDH1A1 (0.53) CCR2TSHRALDH1A1
SCHEMBL27204184 0.82 KDM4E (0.54) CCR2PTGS2TBXA2RPIK3R1PIK3CA
SCHEMBL18247588 0.80 KDM4E (0.40) CCR2PTGS2KDM4EALDH1A1HPGD
SCHEMBL29173701 0.80 PDE5A (0.57) CCR2PTGS2TBXA2RPIK3R1PIK3CA
SCHEMBL6303307 0.79 CCR2 (0.76) CCR2PTGS2TBXA2RKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250302842-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATMENT OF CANCERS Jubilant Epipad LLC 2025-10-02 US disclosed
US-12357639-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2025-07-15 US disclosed
US-20240156831-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2024-05-16 US disclosed
EP-3684767-B1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2024-04-24 EP disclosed
EP-3684767-B1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC (US) 2024-04-24 EP disclosed
US-11833156-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2023-12-05 US disclosed
US-11833156-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2023-12-05 US disclosed
US-11833156-B2 Heterocyclic compounds as pad inhibitors Jubilant Epipad LLC (US) 2023-12-05 US disclosed
CN-111108105-B Heterocyclic compounds as PAD inhibitors 朱比兰特埃皮帕德有限公司 2023-03-31 CN disclosed
US-20200276206-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2020-09-03 US disclosed
US-20200276206-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS Jubilant Epipad LLC 2020-09-03 US disclosed
CN-111108105-A Heterocyclic compounds as PAD inhibitors 朱比兰特埃皮帕德有限公司 2020-05-05 CN disclosed
WO-2019058393-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-03-28 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 (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-11833156-B2 Heterocyclic compounds as pad inhibitors PADI4, PADI2, PADI1 CCR2 270/4885PTGS2 1670/4885TBXA2R 1609/4885
US-20250302842-A1 HETEROCYCLIC COMPOUNDS USEFUL FOR TREATMENT OF CANCERS NES, VHL, ETV6 CCR2 774/4885PTGS2 2876/4885TBXA2R 1505/4885
US-20240156831-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS PADI4, PADI2, PADI1 CCR2 615/4885PTGS2 1585/4885TBXA2R 1362/4885
US-20200276206-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS PADI4, PADI2, PADI1 CCR2 270/4885PTGS2 1670/4885TBXA2R 1609/4885
US-12357639-B2 Heterocyclic compounds as pad inhibitors PADI4, PADI2, PADI1 CCR2 615/4885PTGS2 1585/4885TBXA2R 1362/4885

“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.