SCHEMBL17544816

SCHEMBL17544816

C#CC(C)(C)c1nccn1C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
LPO P22079 1/20 0.39
TSHR P16473 2/20 0.35
PKM P14618 2/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 1/20 0.31
FDPS P14324 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL15193512 0.81 KMT2A (0.49) KMT2ALPOTSHRPKMMAPK1
SCHEMBL31708156 0.81 KMT2A (0.49) KMT2ALPOTSHRPKMMAPK1
SCHEMBL22863264 0.76 KMT2A (0.50) KMT2ALPOTSHRPKMMAPK1
SCHEMBL419709 0.76 KMT2A (0.50) KMT2ALPOTSHRPKMMAPK1
Hydrochloric Acid SCHEMBL16540240 0.74 KMT2A (0.48) KMT2ALPOTSHRPKMMAPK1
SCHEMBL12440668 0.74 KMT2A (0.48) KMT2ALPOTSHRPKMMAPK1
SCHEMBL17545187 0.73 KMT2A (0.30) KMT2A
SCHEMBL29269237 0.73 KMT2A (0.32) KMT2A
SCHEMBL11050545 0.72 KMT2A (0.56) KMT2ALPOTSHRPKMMAPK1
SCHEMBL8415398 0.72 KMT2A (0.56) KMT2ALPOTSHRPKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186239-B1 ANTIRETROVIRAL AGENTS GILEAD SCIENCES INC (US) 2018-10-10 EP disclosed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed
EP-3186239-A1 ANTIRETROVIRAL AGENTS Gilead Sciences, Inc. (US) 2017-07-05 EP disclosed
WO-2016033243-A9 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-05-19 WO disclosed
WO-2016033243-A9 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-05-19 WO disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US disclosed
US-20160083368-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-03-24 US disclosed
WO-2016033243-A1 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-03-03 WO 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 (1 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-20160083368-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KMT2A 4702/4885LPO 587/4885TSHR 4662/4885

“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.