SCHEMBL17684484

SCHEMBL17684484

COC(=O)c1ccc(CNC(=O)c2cnc(C3CC3)n2Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.54
▸ MAPK14 Q16539 1/20 0.44
▸ LSS P48449 1/20 0.43
▸ PTGER4 P35408 3/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ AGTR1 P30556 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MMP13 P45452 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
SCHEMBL17684714 0.86 CCR9 (0.44) RORCKMT2AKDM4EHSD17B10PTGDR2
SCHEMBL17684775 0.86 RORC (0.53) RORCMAPK14LSSPTGER4KMT2A
SCHEMBL17684716 0.82 RORC (0.49) RORCMAPK14LSSPTGER4CRHBP
SCHEMBL17684539 0.78 CCR9 (0.56) PTGER4PTGDR2
SCHEMBL28057555 0.78 RORC (0.43) RORCKMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL17684304 0.78 RORC (0.45) RORCMAPK14LSSPTGER4CRHBP
SCHEMBL17735994 0.74 L3MBTL1 (0.52) KMT2ASMN1; SMN2MEN1GAA
SCHEMBL17684796 0.73 RORC (0.48) RORCMAPK14LSSPTGER4PTGDR2
SCHEMBL28057446 0.72 CCR9 (0.42) KDM4EPTGDR2CYP3A4
SCHEMBL17684894 0.72 KDM4E (0.46) RORCKMT2AKDM4EMEN1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431416-B 4- alkynyl imdazole derivatives and contain its drug as effective component 科研制药株式会社 2019-01-08 — — CN disclosed
EP-3009426-B1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMA CO LTD (JP) 2018-05-02 — — EP disclosed
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-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
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 RORC 43/4885MAPK14 357/4885LSS 2505/4885
US-20170128431-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 RORC 35/4885MAPK14 606/4885LSS 2760/4885

“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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