SCHEMBL15570367

SCHEMBL15570367

COCCOCc1cc(F)ccc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.42
HTR2A P28223 2/20 0.36
IDH1 O75874 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
RORC P51449 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
ALDH1A1 P00352 2/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MPO P05164 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
SCHEMBL552171 0.85 TDP1 (0.42) ARHTR2AIDH1HTR2CHTR2B
SCHEMBL3751942 0.83 KDM4E (0.43) ARHTR2AIDH1HTR2CHTR2B
SCHEMBL3748708 0.77 AR (0.42) ARRORCFFAR1FFAR4NR3C1
SCHEMBL27263524 0.76 PPARG (0.41) HTR2AALDH1A1KDM4EUSP2MAOB
SCHEMBL22519888 0.76 IDO1 (0.55) ALDH1A1KDM4EMAOB
SCHEMBL18213822 0.75 RORC (0.43) ARHTR2AIDH1HTR2CHTR2B
SCHEMBL20817916 0.75 MPO (0.38) ARHTR2AIDH1HTR2CHTR2B
SCHEMBL17631638 0.75 AR (0.52) ARIDH1SQORFFAR1FFAR4
SCHEMBL12200028 0.74 IDO1 (0.53) ALDH1A1KDM4EMAOB
SCHEMBL15132099 0.74 IDO1 (0.53) ALDH1A1KDM4EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550764-B2 Fused heterocyclic compounds and their use THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2017-01-24 US disclosed
US-9550764-B2 Fused heterocyclic compounds and their use THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2017-01-24 US disclosed
US-9550764-B2 Fused heterocyclic compounds and their use THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2017-01-24 US disclosed
EP-2888254-B1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE CANCER RES INST ROYAL (GB) 2016-10-05 EP disclosed
EP-2888254-B1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE CANCER RES INST ROYAL (GB) 2016-10-05 EP disclosed
US-20150232462-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2015-08-20 US disclosed
US-20150232462-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2015-08-20 US disclosed
US-20150232462-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2015-08-20 US disclosed
EP-2888254-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE The Institute of Cancer Research : The Royal Cancer Hospital (GB) 2015-07-01 EP disclosed
WO-2014030001-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2014-02-27 WO disclosed
WO-2014030001-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2014-02-27 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-20150232462-A1 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, KRAS AR 257/4885HTR2A 2948/4885IDH1 9/4885

“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.