SCHEMBL7704773

SCHEMBL7704773

O=C(Cl)c1ccnc(C(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 2/20 0.49
SMARCA4 P51532 1/20 0.39
RAF1 P04049 12/20 0.36
BRAF P15056 12/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
TET3 O43151 1/20 0.36
KDM4A O75164 1/20 0.36
BBOX1 O75936 1/20 0.36
MAPT P10636 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5C P41229 1/20 0.36
ASPH Q12797 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
TET2 Q6N021 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
KDM7A Q6ZMT4 1/20 0.36
KDM8 Q8N371 1/20 0.36
TET1 Q8NFU7 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
SCHEMBL29453118 0.83 KDM4C (0.55) SMARCA2ALDH1A1KDM4EKDM6BTET3
SCHEMBL7704763 0.83 KDM4C (0.55) SMARCA2ALDH1A1KDM4EKDM6BTET3
SCHEMBL12136051 0.81 SMARCA2 (0.49) SMARCA2SMARCA4RAF1BRAFALDH1A1
SCHEMBL16094229 0.81 SMARCA2 (0.45) SMARCA2ALDH1A1KDM4EKDM6BTET3
SCHEMBL25221382 0.77 SMARCA2 (0.42) SMARCA2SMARCA4RAF1BRAFALDH1A1
SCHEMBL30147553 0.77 SMARCA2 (0.46) SMARCA2RAF1BRAF
SCHEMBL580680 0.77 KDM4E (0.55) SMARCA2ALDH1A1KDM4EKDM6BMAPT
SCHEMBL20867966 0.75 HPGD (0.54) ALDH1A1KDM4EPROKR1
SCHEMBL22924504 0.75 FDPS (0.55) SMARCA2RAF1BRAFCYP3A4
SCHEMBL3569008 0.75 TAS1R3 (0.44) BRAFALDH1A1KDM4EKDM6BTET3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106536489-B Retinoid-related orphan receptor gamma modulators and uses thereof 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
EP-3148975-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-11-28 EP disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
EP-3148975-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-04-05 EP disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed
US-20110281894-A1 HEMIFUMARATE SALT ASTRAZENECA AB (SE) 2011-11-17 US disclosed
WO-2011142716-A1 NOVEL HEMIFUMARATE SALT OF ISOINDOLE COMPOUND ACTING AS BACE INHIBITOR ASTRAZENECA AB (SE) 2011-11-17 WO disclosed
US-20110281894-A1 HEMIFUMARATE SALT ASTRAZENECA AB (SE) 2011-11-17 US 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-20170197978-A1 NOVEL COMPOUNDS RORC, RORB, RORA SMARCA2 2751/4885SMARCA4 2528/4885RAF1 2189/4885
US-20110281894-A1 HEMIFUMARATE SALT PSEN1, PSEN2, SNCA SMARCA2 599/4885SMARCA4 528/4885RAF1 1975/4885

“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.