SCHEMBL15344199

SCHEMBL15344199

Cc1cccc(-c2cnn(C(C)C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
PIP5K1C O60331 1/20 0.48
PIK3CA P42336 1/20 0.48
PI4KA P42356 1/20 0.48
PIK3CG P48736 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
PFKFB3 Q16875 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
PDK2 Q15119 2/20 0.41
BRD4 O60885 3/20 0.41
CREBBP Q92793 2/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
GRIN2B Q13224 1/20 0.40
TEK Q02763 1/20 0.40
AXL P30530 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
RAB9A P51151 2/20 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
SCHEMBL21876209 0.82 PIK3CD (0.53) PIK3CDPIP5K1CPIK3CAPI4KAPIK3CG
SCHEMBL15340950 0.82 PIK3CD (0.47) PIK3CDPIP5K1CPIK3CAPI4KAPIK3CG
SCHEMBL29371526 0.82 PIK3CD (0.53) PIK3CDPIP5K1CPIK3CAPI4KAPIK3CG
SCHEMBL13322631 0.80 CREBBP (0.48) PIK3CDPIP5K1CPIK3CAPI4KAPIK3CG
SCHEMBL13322675 0.80 NPC1 (0.53) PIK3CDPIP5K1CPIK3CAPI4KAPIK3CG
SCHEMBL17448056 0.79 PIK3CD (0.49) PIK3CDPIP5K1CPIK3CAPI4KAPIK3CG
SCHEMBL12688 0.77 TEK (0.58) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL13036040 0.76 PRMT5 (0.47) PFKFB3PRMT5WDR77PDK2TEK
SCHEMBL13322684 0.76 PIK3CD (0.42) PIK3CDPIP5K1CPIK3CAPI4KAPIK3CG
SCHEMBL24289812 0.76 KMT2A (0.44) PFKFB3TEKRAB9ANPC1KMT2A

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-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 (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 PIK3CD 3591/4885PIP5K1C 3768/4885PIK3CA 3252/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PIK3CD 759/4885PIP5K1C 1250/4885PIK3CA 894/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PIK3CD 759/4885PIP5K1C 1250/4885PIK3CA 894/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PIK3CD 3591/4885PIP5K1C 3768/4885PIK3CA 3252/4885

“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.