SCHEMBL16701679

SCHEMBL16701679

Cc1c(C#N)cccc1C(F)F

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
NISCH Q9Y2I1 1/20 0.38
SOS1 Q07889 13/20 0.36
AR P10275 2/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10304818 0.82 TSHR (0.45) TSHRNISCHSOS1ARALDH1A1
SCHEMBL23563886 0.80 TSHR (0.43) TSHRNISCHSOS1ARALDH1A1
SCHEMBL3974692 0.79 TSHR (0.44) TSHRARALDH1A1L3MBTL1
SCHEMBL16957796 0.78 TSHR (0.42) TSHRNISCHSOS1ARALDH1A1
SCHEMBL29946019 0.78 TSHR (0.42) TSHRNISCHSOS1ARALDH1A1
SCHEMBL27349177 0.78 TSHR (0.42) TSHRNISCHSOS1ARALDH1A1
SCHEMBL23526257 0.78 TSHR (0.42) TSHRNISCHSOS1ARALDH1A1
SCHEMBL23526260 0.78 TSHR (0.42) TSHRNISCHSOS1ARALDH1A1
SCHEMBL30014022 0.78 TSHR (0.42) TSHRNISCHSOS1ARALDH1A1
SCHEMBL819145 0.78 TSHR (0.59) TSHRNISCHARALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064147-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS MERCK SHARP & DOHME CORP. (US) 2022-03-03 US claimed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-9751843-B2 Substituted uracils and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-05 US disclosed
US-20160297771-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-13 US disclosed
CN-105980381-A Substituted uracils and use thereof 拜耳医药股份有限公司 2016-09-28 CN disclosed
EP-3066098-A1 SUBSTITUTED URACILS AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2015067630-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 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-20220064147-A1 PYRIMIDONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS AGAINST HIV INFECTED CELLS TYMP, PNP, CD4 TSHR 4499/4885NISCH 3532/4885SOS1 3507/4885
US-20160297771-A1 SUBSTITUTED URACILS AND USE THEREOF UNG, UMPS, TYMP TSHR 3979/4885NISCH 2077/4885SOS1 2862/4885

“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.