SCHEMBL15344201

SCHEMBL15344201

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.42
BRD4 O60885 2/20 0.41
CREBBP Q92793 2/20 0.41
EP300 Q09472 1/20 0.41
TEK Q02763 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.39
METAP2 P50579 1/20 0.39
NR3C1 P04150 1/20 0.39
PFKFB3 Q16875 1/20 0.39
RIPK2 O43353 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 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
SCHEMBL21876291 0.82 MAP4K4 (0.46) PDK2BRD4CREBBPEP300METAP2
SCHEMBL29373029 0.82 MAP4K4 (0.46) PDK2BRD4CREBBPEP300METAP2
SCHEMBL18086771 0.80 PDK2 (0.47) PDK2BRD4CREBBPEP300RAB9A
SCHEMBL15340939 0.80 RXRA (0.41) PDK2BRD4CREBBPEP300PFKFB3
SCHEMBL12688 0.77 TEK (0.58) TEKMETAP2PFKFB3
SCHEMBL24289812 0.76 KMT2A (0.44) TEKRAB9ANPC1KMT2AIDO1
Ammonia Solution, Strong SCHEMBL28862497 0.76 TEK (0.56) TEKMETAP2PFKFB3
SCHEMBL15345131 0.75 CCR1 (0.50) PDK2KMT2AMETAP2
SCHEMBL15344199 0.73 PIK3CD (0.48) PDK2BRD4CREBBPTEKRAB9A
SCHEMBL24342417 0.73 PIK3CD (0.48) PDK2TEKALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159489-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed
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 (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-20130281434-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PDK2 2304/4885BRD4 3611/4885CREBBP 942/4885
US-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDK2 1160/4885BRD4 1928/4885CREBBP 401/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 PDK2 1160/4885BRD4 1928/4885CREBBP 401/4885
US-20160152582-A1 THERAPEUTIC COMPOUNDS NFATC1, FURIN, CD4 PDK2 2304/4885BRD4 3611/4885CREBBP 942/4885
US-20230159489-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE HIF1AN, EGLN3, PHF20 PDK2 964/4885BRD4 40/4885CREBBP 1208/4885

“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.