SCHEMBL16740490

SCHEMBL16740490

CCOC(=O)c1cn(C)cc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 2/20 0.39
ELANE P08246 1/20 0.39
LMNA P02545 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ALDH1A1 P00352 2/20 0.38
FDFT1 P37268 1/20 0.38
HPGD P15428 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CSNK1D P48730 1/20 0.38

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
SCHEMBL68329 0.81 TSHR (0.57) TSHRBAZ2BBAZ2AKDM4EHSD17B10
SCHEMBL16740488 0.79 ALDH1A1 (0.43) KDM4EGAALMNAALDH1A1HPGD
SCHEMBL29391322 0.78 TSHR (0.50) TSHRBAZ2BBAZ2AKDM4EHSD17B10
Potassium Ion SCHEMBL16740445 0.78 TSHR (0.53) TSHRBAZ2BBAZ2AKDM4EHSD17B10
SCHEMBL16740459 0.78 KMT2A (0.46) TSHRKDM4EHSD17B10GAALMNA
SCHEMBL18092383 0.76 TSHR (0.52) TSHRBAZ2BBAZ2AKDM4EHSD17B10
SCHEMBL14565677 0.75 TSHR (0.50) TSHRBAZ2BBAZ2AKDM4EHSD17B10
SCHEMBL4874001 0.75 TSHR (0.50) TSHRBAZ2BBAZ2AKDM4EHSD17B10
SCHEMBL16752384 0.74 TSHR (0.65) TSHRKDM4EHSD17B10ALDH1A1CA1
SCHEMBL23498397 0.74 KMT2A (0.43) TSHRBAZ2BBAZ2AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550796-B2 Pyrrolopyrrolone derivatives and their use as BET inhibitors NOVARTIS AG (CH) 2017-01-24 US disclosed
US-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2016-09-29 US disclosed
EP-3071571-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS Novartis AG (CH) 2016-09-28 EP disclosed
WO-2015075665-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS NOVARTIS AG (CH) 2015-05-28 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-20160280719-A1 PYRROLOPYRROLONE DERIVATIVES AND THEIR USE AS BET INHIBITORS BET1, PHKB, TMPO TSHR 4015/4885BAZ2B 185/4885BAZ2A 418/4885

“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.