SCHEMBL15466928

SCHEMBL15466928

O=c1c2ccccc2ccn1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.40
TNF P01375 1/20 0.38
POLB P06746 1/20 0.38
PAX8 Q06710 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2A6 P11509 1/20 0.36
TSHR P16473 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31104421 1.00 KDM4E (0.41) KDM4ETDP1TNFPOLBPAX8
SCHEMBL122923 0.81 KDM4E (0.41) KDM4ETDP1TNFPOLBPAX8
SCHEMBL24916266 0.77 KDM4E (0.42) KDM4ETDP1TNFPOLBALDH1A1
SCHEMBL1758143 0.77 KDM4E (0.51) KDM4ETDP1TNFPOLBACHE
SCHEMBL14471172 0.75 KDM4E (0.41) KDM4ETDP1TNFPOLBACHE
SCHEMBL6700707 0.75 PSMB1 (0.40) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27637621 0.74 TDP1 (0.40) KDM4ETDP1TNFPOLBPAX8
SCHEMBL29480963 0.73 POLB (0.57) KDM4ETDP1POLBALDH1A1CYP1A2
SCHEMBL31066760 0.71 CDK4 (0.45) ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL31285936 0.70 TRPV1 (0.51) KDM4EMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3057586-A1 BROMODOMAIN INHIBITORS Celgene Quanticel Research, Inc. (US) 2016-08-24 EP claimed
WO-2015058160-A1 BROMODOMAIN INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2015-04-23 WO claimed
US-20240182490-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2024-06-06 US disclosed
US-20220315601-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2022-10-06 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 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 (3 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-20240182490-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 KDM4E 137/4885TDP1 1684/4885TNF 4560/4885
US-20220315601-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 KDM4E 137/4885TDP1 1684/4885TNF 4560/4885
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 KDM4E 530/4885TDP1 1617/4885TNF 4497/4885

“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.