SCHEMBL15340940

SCHEMBL15340940

Cc1c(-c2cccc(C(C)C)c2)cnn1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.45
CREBBP Q92793 1/20 0.45
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
MAPK1 P28482 6/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
LPAR1 Q92633 1/20 0.38
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
PFKFB3 Q16875 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NR4A2 P43354 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
SCHEMBL15341756 0.80 CYP11B2 (0.58) CYP11B2CREBBPPRMT5WDR77MKNK1
SCHEMBL15344206 0.80 RAB9A (0.51) CYP11B2CREBBPPRMT5WDR77BRD4
SCHEMBL15340855 0.80 NPC1 (0.52) MAPK1KDM4EMAPTRAB9AALDH1A1
SCHEMBL27405097 0.78 BRD4 (0.47) PRMT5WDR77RXRARXRBRXRG
SCHEMBL20132705 0.78 KDM4E (0.39) CYP11B2CREBBPMAPK1MKNK1MKNK2
SCHEMBL12175373 0.76 CREBBP (0.62) CYP11B2CREBBPMAPK1LPAR1BRD4
SCHEMBL20437907 0.74 LMNA (0.40) CYP11B2CREBBPPRMT5WDR77MAPK1
SCHEMBL15341879 0.74 KDM4E (0.44) CYP11B2CREBBPBRD4KDM4ELMNA
SCHEMBL15340863 0.73 TRPA1 (0.49) CREBBPPRMT5MAPK1RXRARXRB
SCHEMBL17806589 0.73 CYP11B2 (0.47) CYP11B2CREBBPPRMT5WDR77MAPK1

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 7 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-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 CYP11B2 19/4885CREBBP 401/4885PRMT5 1706/4885
US-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CYP11B2 21/4885CREBBP 942/4885PRMT5 819/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP11B2 19/4885CREBBP 401/4885PRMT5 1706/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CYP11B2 19/4885CREBBP 401/4885PRMT5 1706/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 CYP11B2 21/4885CREBBP 942/4885PRMT5 819/4885

“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.