SCHEMBL955764

SCHEMBL955764

NC(=S)c1ccnc(N)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.59
GABRD O14764 2/20 0.59
GABRA1 P14867 2/20 0.59
GABRB1 P18505 2/20 0.59
GABRG2 P18507 2/20 0.59
GABRB3 P28472 2/20 0.59
GABRA5 P31644 2/20 0.59
GABRA3 P34903 2/20 0.59
GABRA2 P47869 2/20 0.59
GABRB2 P47870 2/20 0.59
GABRA4 P48169 2/20 0.59
GABRE P78334 2/20 0.59
GABRA6 Q16445 2/20 0.59
GABRG1 Q8N1C3 2/20 0.59
GABRG3 Q99928 2/20 0.59
GABRQ Q9UN88 2/20 0.59
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL9792766 0.80 CYP1A2 (0.58) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL446809 0.78 GABRP (0.70) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18375601 0.77 CYP1A2 (0.59) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL13847385 0.77 CYP1A2 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28556647 0.76 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL312500 0.75 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1726856 0.75 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30705741 0.74 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL220538 0.74 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19586492 0.72 GABRP (0.68) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183015-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-22 US disclosed
EP-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP disclosed
US-20180028518-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-01 US disclosed
EP-3265088-A1 SREBP BLOCKERS FOR USE IN TREATING LIVER FIBROSIS, ELEVATED CHOLESTEROL AND INSULIN RESISTANCE Medivation Technologies LLC (US) 2018-01-10 EP disclosed
US-9670172-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2017-06-06 US disclosed
EP-3038622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Medivation Technologies, Inc. (US) 2016-07-06 EP disclosed
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES LLC 2015-03-05 US disclosed
WO-2015031650-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE CHAKRAVARTY SARVAJIT (US) 2015-03-05 WO disclosed
EP-2391619-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS Millennium Pharmaceuticals, Inc. (US) 2011-12-07 EP disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
WO-2010090716-A1 HETEROARYLS AND THEIR USE AS PI3K INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-08-12 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 (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-20150065519-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRAS, VHL, ESRRB GABRP 2461/4885GABRD 747/4885GABRA1 2066/4885
US-20180028518-A1 Heterocyclic Compounds and Methods of Use LIPC, CPT1A, FABP1 GABRP 3372/4885GABRD 3990/4885GABRA1 4410/4885
US-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 GABRP 1194/4885GABRD 3038/4885GABRA1 2775/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 GABRP 3138/4885GABRD 3671/4885GABRA1 2977/4885
US-10183015-B2 Heterocyclic compounds and methods of use LIPC, CPT1A, FABP1 GABRP 3372/4885GABRD 3990/4885GABRA1 4410/4885

“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.