SCHEMBL20635503

SCHEMBL20635503

COC(=O)c1cc(I)c(NC(=O)C(F)(F)F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.46
SOS1 Q07889 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
PDK1 Q15118 3/20 0.38
PDK2 Q15119 3/20 0.38
PDK3 Q15120 3/20 0.38
PDK4 Q16654 3/20 0.38
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL25155623 0.83 KDM4E (0.43) CFTRSOS1KDM4ECYP1A2CYP2C19
SCHEMBL31312693 0.81 PTPN5 (0.39) KDM4ECYP1A2CYP2C19CYP2C9PDK1
SCHEMBL27214479 0.81 ATR (0.42) CFTRSOS1KDM4ECYP1A2CYP2C19
SCHEMBL30264748 0.79 KDM4E (0.49) CFTRKDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL11922634 0.76 CFTR (0.49) CFTRSOS1KDM4ECYP1A2CYP2C19
SCHEMBL1173751 0.75 KDM4E (0.54) KDM4ECYP1A2CYP2C19CYP2C9PDK1
SCHEMBL979300 0.75 PDK2 (0.53) KDM4ECYP1A2CYP2C19CYP2C9PDK1
SCHEMBL17042042 0.74 SOS1 (0.44) CFTRSOS1KDM4ECYP1A2CYP2C19
SCHEMBL28439983 0.74 CYP1A2 (0.57) CFTRKDM4ECYP1A2CYP2C19CYP2C9
SCHEMBL5058519 0.74 KDM4E (0.55) CFTRKDM4ECYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20200131123-A1 INDOLE-FORMAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE TPH1, TPH2, PAH CFTR 2557/4885SOS1 1995/4885KDM4E 305/4885

“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.