SCHEMBL15344206

SCHEMBL15344206

Cc1cccc(-c2cnn(C)c2C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 2/20 0.51
CYP11B2 P19099 1/20 0.50
CREBBP Q92793 1/20 0.49
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
ADORA1 P30542 1/20 0.42
IDO1 P14902 1/20 0.41
METAP2 P50579 1/20 0.41
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RPS6KA3 P51812 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK1 O14757 1/20 0.39

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
SCHEMBL23398611 0.83 KMT2A (0.49) RAB9AKMT2ANPC1CREBBPPRMT5
SCHEMBL12175373 0.81 CREBBP (0.62) RAB9AKMT2ANPC1CYP11B2CREBBP
SCHEMBL15340940 0.80 CYP11B2 (0.45) RAB9ACYP11B2CREBBPPRMT5WDR77
SCHEMBL15345127 0.77 CYP11B2 (0.66) RAB9ANPC1CYP11B2CREBBPPRMT5
SCHEMBL15345094 0.77 NPC1 (0.74) RAB9AKMT2ANPC1MEN1MAPT
SCHEMBL8119242 0.76 PRMT5 (0.48) RAB9AKMT2ANPC1PRMT5WDR77
SCHEMBL5443782 0.76 PRMT5 (0.48) RAB9AKMT2ANPC1PRMT5WDR77
SCHEMBL23087650 0.72 HTR2A (0.51) RAB9AKMT2ANPC1PRMT5WDR77
SCHEMBL17809816 0.72 CYP11B2 (0.51) CYP11B2CREBBPPRMT5WDR77BRD4
SCHEMBL23400529 0.72 PRMT5 (0.43) RAB9AKMT2ANPC1PRMT5WDR77

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
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP 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-20130281434-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-10-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 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 (4 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-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 RAB9A 537/4885KMT2A 4363/4885NPC1 5/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 RAB9A 181/4885KMT2A 4391/4885NPC1 6/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 RAB9A 181/4885KMT2A 4391/4885NPC1 6/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 RAB9A 537/4885KMT2A 4363/4885NPC1 5/4885

“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.