SCHEMBL15340936

SCHEMBL15340936

CC(C)c1cccc(-c2cnc(N(C)C)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44
DHFR P00374 1/20 0.41
CDK8 P49336 1/20 0.40
PTPN5 P54829 2/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
GRM5 P41594 2/20 0.38
FABP3 P05413 1/20 0.38
CYP2C9 P11712 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
GRIN2B Q13224 3/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37

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
SCHEMBL24721003 0.81 PSEN1 (0.53) RXRARXRBRXRGCDK8PTPN5
SCHEMBL15340959 0.79 RXRA (0.50) RXRARXRBRXRGCDK8PTPN5
SCHEMBL8739373 0.79 MAP4K4 (0.59) ATMRXRARXRBRXRGDHFR
SCHEMBL13086634 0.78 INPPL1 (0.43) ATMPRMT5WDR77GRM5APP
SCHEMBL5352034 0.78 RXRA (0.62) ATMRXRARXRBRXRGPTPN5
SCHEMBL13680644 0.77 DHFR (0.44) DHFRGRM5GRIN2BMAP4K4GRIN1
SCHEMBL15340960 0.77 FTO (0.46) RXRARXRBRXRGDHFRCDK8
SCHEMBL24721112 0.77 RXRA (0.44) ATMRXRARXRBRXRGCDK8
SCHEMBL2643560 0.76 MAP4K4 (0.65) DHFRMAP4K4
SCHEMBL598181 0.75 RXRA (0.66) ATMRXRARXRBRXRGPTPN5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20180127388-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-10 US disclosed
US-20160152582-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-06-02 US disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-9096586-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-08-04 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 US disclosed
US-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 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 (5 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-20180127388-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ATM 2034/4885RXRA 1408/4885RXRB 1416/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 ATM 1637/4885RXRA 396/4885RXRB 581/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ATM 2034/4885RXRA 1408/4885RXRB 1416/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 ATM 2034/4885RXRA 1408/4885RXRB 1416/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 ATM 1637/4885RXRA 396/4885RXRB 581/4885

“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.