SCHEMBL17684424

SCHEMBL17684424

O=C(O)c1cnc(Cl)n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR9 P51686 7/20 0.61
▸ CCR2 P41597 2/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ FABP4 P15090 2/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ SRD5A2 P31213 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ASPH Q12797 1/20 0.41
▸ RIOX2 Q8IUF8 1/20 0.41
▸ KDM8 Q8N371 1/20 0.41

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
SCHEMBL17684528 0.84 CCR9 (0.48) CCR9PTGDR2P2RX3KDM4E
SCHEMBL17728261 0.83 CCR9 (0.55) CCR9CCR2PTGDR2FABP4KDM4E
SCHEMBL16304459 0.81 GPR35 (0.50) CCR9CCR2PTGDR2KDM4E
SCHEMBL17684539 0.81 CCR9 (0.56) CCR9CCR2PTGDR2FABP4
SCHEMBL15653992 0.81 CCR9 (0.56) CCR9CCR2PTGDR2
SCHEMBL16304454 0.76 CCR9 (0.44) CCR9PTGDR2P2RX3KDM4E
SCHEMBL17684775 0.75 RORC (0.53) PTGDR2
SCHEMBL4201841 0.71 CCR2 (0.77) CCR9CCR2
SCHEMBL4208025 0.70 CCR2 (0.74) CCR9CCR2
SCHEMBL15654239 0.70 CCR9 (0.47) CCR9CCR2SRD5A2KDM4E

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
EP-3009426-B1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMA CO LTD (JP) 2018-05-02 — — EP disclosed
US-9855257-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2018-01-02 — — US disclosed
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-05-11 — — US disclosed
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-05-11 — — US disclosed
US-9593081-B2 4-alkynyl imidazole derivative and medicine comprising same as active ingredient KAKEN PHARMACEUTICAL CO., LTD. (JP) 2017-03-14 — — US disclosed
US-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-05-12 — — US disclosed
EP-3009426-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT Kaken Pharmaceutical Co., Ltd. (JP) 2016-04-20 — — EP disclosed
EP-3009426-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT Kaken Pharmaceutical Co., Ltd. (JP) 2016-04-20 — — 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-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 CCR9 114/4885CCR2 191/4885PTGDR2 33/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 CCR9 83/4885CCR2 149/4885PTGDR2 26/4885

“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.

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