SCHEMBL19360545

SCHEMBL19360545

O=C(O)c1ccc2c(c1)cc(Cc1ccc(Cl)cc1C(F)(F)F)n2CCF

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.64
PPARG P37231 1/20 0.42
CCR2 P41597 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
POLQ O75417 1/20 0.38
ABCB11 O95342 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
EPHX2 P34913 1/20 0.35
PLA2G4A P47712 1/20 0.35
LTB4R Q15722 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 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
SCHEMBL29465610 1.00 RORC (0.64) RORCPPARGCCR2MRGPRX4POLQ
SCHEMBL28895765 0.92 RORC (0.56) RORCPPARGCCR2MRGPRX4POLQ
SCHEMBL28285110 0.92 RORC (0.55) RORCPPARGCCR2MRGPRX4POLQ
SCHEMBL28895622 0.90 RORC (0.54) RORCPPARGCCR2MRGPRX4POLQ
SCHEMBL20822477 0.89 RORC (0.52) RORCPPARGMRGPRX4EPHX2PLA2G4A
SCHEMBL28285097 0.88 RORC (0.55) RORCPPARGCCR2MRGPRX4POLQ
SCHEMBL19360544 0.88 RORC (0.65) RORCPPARGMRGPRX4POLQEPHX2
SCHEMBL29465606 0.88 RORC (0.65) RORCPPARGMRGPRX4POLQEPHX2
SCHEMBL22238330 0.88 RORC (0.51) RORCPPARGCCR2MRGPRX4POLQ
SCHEMBL22238305 0.87 RORC (0.51) RORCPPARGCCR2MRGPRX4POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109963836-B Deuterium atom substituted indole carboxamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed
CN-113227048-B Crystal form of indole carboxamide derivative and preparation method thereof 江苏恒瑞医药股份有限公司 2022-04-12 CN disclosed
CN-113365980-B Crystal form of deuterium atom substituted indole formamide derivative and preparation method thereof 江苏恒瑞医药股份有限公司 2022-04-12 CN disclosed
CN-113365980-A Crystal form of deuterium atom substituted indole formamide derivative and preparation method thereof 江苏恒瑞医药股份有限公司 2021-09-07 CN disclosed
CN-109952298-B Indole carboxamide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-09-03 CN disclosed
CN-113227048-A Crystal form of indole carboxamide derivative and preparation method thereof 江苏恒瑞医药股份有限公司 2021-08-06 CN disclosed
CN-107531679-B Aromatic amide derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2021-07-02 CN disclosed
WO-2020182109-A1 CRYSTAL FORM OF DEUTERIUM ATOM-SUBSTITUTED INDOLE FORMAMIDE DERIVATIVE AND PREPARATION METHOD THEREFOR 江苏恒瑞医药股份有限公司 2020-09-17 WO disclosed
US-20200277278-A1 Deuterium Atom-Substituted Indole Formamide Derivative, Preparation Method Therefor, and Medical Applications Thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-09-03 US disclosed
US-20200277278-A1 Deuterium Atom-Substituted Indole Formamide Derivative, Preparation Method Therefor, and Medical Applications Thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-09-03 US disclosed
EP-3683206-A1 DEUTERIUM ATOM-SUBSTITUTED INDOLE FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATIONS THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2020-07-22 EP disclosed
EP-3683206-A1 DEUTERIUM ATOM-SUBSTITUTED INDOLE FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATIONS THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2020-07-22 EP disclosed
WO-2020140960-A1 CRYSTAL FORM FOR INDOLE-FORMAMIDE DERIVATIVE AND PREPARATION METHOD FOR CRYSTAL FORM 江苏恒瑞医药股份有限公司 2020-07-09 WO disclosed
EP-3650448-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE Jiangsu Hengrui Medicine Co., Ltd. (CN) 2020-05-13 EP disclosed
US-20200131123-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2020-04-30 US disclosed
WO-2019052440-A1 DEUTERIUM ATOM-SUBSTITUTED INDOLE FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2019-03-21 WO disclosed
WO-2019007382-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2019-01-10 WO disclosed
CN-107531679-A Aromatic amides analog derivative, its preparation method and its application in medicine 江苏恒瑞医药股份有限公司 2018-01-02 CN disclosed
WO-2017157332-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATIONS THEREOF 江苏恒瑞医药股份有限公司 2017-09-21 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 (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-20200277278-A1 Deuterium Atom-Substituted Indole Formamide Derivative, Preparation Method Therefor, and Medical Applications Thereof RORA, RORB, RORC RORC 3/4885PPARG 105/4885CCR2 2338/4885
US-20200131123-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE TPH1, TPH2, PAH RORC 2084/4885PPARG 1967/4885CCR2 3910/4885

“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.