SCHEMBL24177166

SCHEMBL24177166

NCC#Cc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
AR P10275 10/20 0.38
CYP2C19 P33261 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2E1 P05181 2/20 0.36
CYP2C8 P10632 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2A6 P11509 2/20 0.36
CYP2B6 P20813 2/20 0.36
THPO P40225 1/20 0.33
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL29791829 1.00 IDO1 (0.44) IDO1ARCYP2C19CYP1A2CYP3A4
SCHEMBL24176753 0.86 IDO1 (0.40) IDO1ARCYP2C19CYP1A2CYP3A4
SCHEMBL24176681 0.83 AR (0.42) ARCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL24176787 0.79 TRPV4 (0.44) AR
SCHEMBL28697729 0.76 IDO1 (0.39) IDO1AR
SCHEMBL24838713 0.75 CYP2A6 (0.45) CYP2C19CYP1A2CYP3A4CYP2C9CYP2E1
SCHEMBL30178751 0.75 CYP2A6 (0.45) CYP2C19CYP1A2CYP3A4CYP2C9CYP2E1
SCHEMBL6211022 0.72 AR (0.43) IDO1AR
SCHEMBL29891719 0.72 AR (0.43) IDO1AR
SCHEMBL3432674 0.72 AR (0.43) IDO1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907408-B Heterocyclic compound, intermediate thereof, preparation method and application thereof 武汉朗来科技发展有限公司 2024-05-03 CN disclosed
EP-4289846-A1 HETEROCYCLIC COMPOUND, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-12-13 EP disclosed
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 US disclosed
US-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-08-17 US disclosed
EP-4174069-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2023-05-03 EP disclosed
CN-113880843-B Heterocyclic compound and application thereof 武汉朗来科技发展有限公司 2023-03-10 CN disclosed
CN-114907408-A Heterocyclic compound, intermediate thereof, preparation method and application thereof 武汉朗来科技发展有限公司 2022-08-16 CN disclosed
WO-2022001767-A1 HETEROCYCLIC COMPOUND AND USE THEREOF 武汉朗来科技发展有限公司 2022-01-06 WO disclosed
CN-113880843-A Heterocyclic compound and application thereof 武汉朗来科技发展有限公司 2022-01-04 CN 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-20230257382-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TRPC5, TRPC1, GOT1 IDO1 184/4885AR 3746/4885CYP2C19 360/4885

“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.