SCHEMBL13557085

SCHEMBL13557085

Nc1nc(N)c2ncn(-c3ccc(C4CCCCC4)cc3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 8/20 0.43
▸ PI4K2B Q8TCG2 8/20 0.43
▸ PI4K2A Q9BTU6 8/20 0.43
▸ PI4KB Q9UBF8 8/20 0.43
▸ CFTR P13569 1/20 0.43
▸ EGFR P00533 1/20 0.42
▸ CDK1 P06493 2/20 0.40
▸ CCNB1 P14635 2/20 0.40
▸ CCNE1 P24864 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ ADORA2A P29274 3/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ PDE8A O60658 1/20 0.37
▸ XDH P47989 2/20 0.36
▸ AHCY P23526 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA1 P30542 1/20 0.35

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
SCHEMBL13190439 0.88 DGAT1 (0.40) PI4KAPI4K2BPI4K2API4KBCFTR
SCHEMBL13190316 0.88 DGAT1 (0.49) PI4KAPI4K2BPI4K2API4KBCFTR
SCHEMBL13190315 0.84 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBEGFR
SCHEMBL13190317 0.82 CFTR (0.38) PI4KAPI4K2BPI4K2API4KBCFTR
SCHEMBL13189955 0.77 DGAT1 (0.48) PI4KAPI4K2BPI4K2API4KBCFTR
SCHEMBL27870413 0.76 XDH (0.58) PI4KAPI4K2BPI4K2API4KBCFTR
SCHEMBL27870411 0.76 CFTR (0.49) PI4KAPI4K2BPI4K2API4KBCFTR
SCHEMBL27886646 0.76 CFTR (0.49) PI4KAPI4K2BPI4K2API4KBCFTR
SCHEMBL27886637 0.76 PI4KA (0.64) PI4KAPI4K2BPI4K2API4KBCFTR
SCHEMBL7438827 0.75 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KBCFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10709718-B2 Inhibitors of diacylglycerol O-acyltransferase 1 (DGAT-1) and uses thereof METABASIS THERAPEUTICS, INC. (US) 2020-07-14 — — US disclosed
US-10034891-B2 Inhibitors of diacylglycerol O-acyltransferase 1 (DGAT-1) and uses thereof METABASIS THERAPEUTICS, INC. (US) 2018-07-31 — — US disclosed
US-20160263132-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE 1 (DGAT-1) AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2016-09-15 — — US disclosed
US-20160263132-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE 1 (DGAT-1) AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2016-09-15 — — US disclosed
US-9340566-B2 Inhibitors of diacylglycerol O-acyltransferase 1 (DGAT-1) and uses thereof METABASIS THERAPEUTICS, INC. (US) 2016-05-17 — — US disclosed
US-9340566-B2 Inhibitors of diacylglycerol O-acyltransferase 1 (DGAT-1) and uses thereof METABASIS THERAPEUTICS, INC. (US) 2016-05-17 — — US disclosed
US-20150166590-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE 1 (DGAT-1) AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-06-18 — — US disclosed
US-20150166590-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE 1 (DGAT-1) AND USES THEREOF CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-06-18 — — US disclosed
US-8962618-B2 Inhibitors of diacylglycerol O-acyltransferase 1 (DGAT-1) and uses thereof METABASIS THERAPEUTICS, INC. (US) 2015-02-24 — — US disclosed
US-8962618-B2 Inhibitors of diacylglycerol O-acyltransferase 1 (DGAT-1) and uses thereof METABASIS THERAPEUTICS, INC. (US) 2015-02-24 — — US disclosed
EP-2408774-B1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE 1(DGAT-1) AND USES THEREOF METABASIS THERAPEUTICS INC (US) 2014-11-26 — — EP disclosed
US-20120270842-A1 Inhibitors of Diacylglycerol O-Acyltransferase 1 (DGAT-1) and Uses Thereof METABASIS THERAPEUTICS, INC. (US) 2012-10-25 — — US disclosed
US-20120270842-A1 Inhibitors of Diacylglycerol O-Acyltransferase 1 (DGAT-1) and Uses Thereof METABASIS THERAPEUTICS, INC. (US) 2012-10-25 — — 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-20150166590-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE 1 (DGAT-1) AND USES THEREOF DGAT1, DGAT2, LCAT PI4KA 653/4885PI4K2B 778/4885PI4K2A 826/4885
US-10034891-B2 Inhibitors of diacylglycerol O-acyltransferase 1 (DGAT-1) and uses thereof DGAT1, DGAT2, PNLIP PI4KA 514/4885PI4K2B 606/4885PI4K2A 642/4885
US-10709718-B2 Inhibitors of diacylglycerol O-acyltransferase 1 (DGAT-1) and uses thereof DGAT1, DGAT2, LCAT PI4KA 656/4885PI4K2B 827/4885PI4K2A 842/4885
US-20160263132-A1 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE 1 (DGAT-1) AND USES THEREOF DGAT1, DGAT2, LCAT PI4KA 653/4885PI4K2B 778/4885PI4K2A 826/4885
US-20120270842-A1 Inhibitors of Diacylglycerol O-Acyltransferase 1 (DGAT-1) and Uses Thereof DGAT1, DGAT2, PNLIP PI4KA 607/4885PI4K2B 757/4885PI4K2A 668/4885

“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.

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