SCHEMBL19397235

SCHEMBL19397235

NCc1ccc(-c2ccccc2)c2ccncc12

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGAT2 Q10469 1/20 0.64
▸ TNF P01375 1/20 0.51
▸ DPP4 P27487 1/20 0.47
▸ CYP1A2 P05177 3/20 0.44
▸ CYP2E1 P05181 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2C8 P10632 3/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ CYP2A6 P11509 3/20 0.44
▸ CYP2C9 P11712 3/20 0.44
▸ CYP2B6 P20813 3/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ DGAT2 Q96PD7 8/20 0.43
▸ AOC1 P19801 2/20 0.42
▸ AOC3 Q16853 2/20 0.42
▸ HTR6 P50406 1/20 0.41
▸ LOXL2 Q9Y4K0 2/20 0.41
▸ PRKCZ Q05513 1/20 0.40
▸ PRKD2 Q9BZL6 1/20 0.40

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
SCHEMBL15345687 0.80 DPP4 (0.59) MGAT2DPP4CYP2A6LOXL2
SCHEMBL17571771 0.79 MGAT2 (1.00) MGAT2DGAT2
SCHEMBL13212635 0.79 DPP4 (0.59) MGAT2TNFDPP4CYP1A2CYP2E1
SCHEMBL7014746 0.79 DPP4 (0.59) MGAT2TNFDPP4CYP1A2CYP2E1
SCHEMBL8232790 0.77 TNF (0.56) MGAT2TNFCYP1A2CYP2E1CYP3A4
SCHEMBL17558217 0.76 MGAT2 (0.72) MGAT2DGAT2
SCHEMBL17571196 0.75 TNF (0.58) MGAT2TNFCYP1A2
SCHEMBL19397234 0.74 TNF (0.56) MGAT2TNFCYP1A2CYP2A6DGAT2
SCHEMBL20608926 0.74 EP300 (0.59) MGAT2AOC1AOC3HTR6LOXL2
SCHEMBL1102708 0.74 TNF (0.56) MGAT2TNFCYP1A2HTR6PRKCZ

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
US-10568876-B2 Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2 MERCK SHARP & DOHME CORP. (US) 2020-02-25 — — US disclosed
EP-3188731-B1 ISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME (US) 2019-04-03 — — EP disclosed
US-9877957-B2 Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2 MERCK SHARP & DOHME CORP. (US) 2018-01-30 — — US disclosed
US-9877957-B2 Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2 MERCK SHARP & DOHME CORP. (US) 2018-01-30 — — US disclosed
US-9828369-B2 Isoquinoline derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2 MERCK SHARPE & DOHME CORP. (US) 2017-11-28 — — US disclosed
US-9828369-B2 Isoquinoline derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2 MERCK SHARPE & DOHME CORP. (US) 2017-11-28 — — US disclosed
US-20170275274-A1 ISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 — — US disclosed
US-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 — — US disclosed
US-20170273966-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 — — US disclosed
US-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 — — US disclosed
US-20170273966-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 — — 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-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 MGAT2 27/4885TNF 2878/4885DPP4 305/4885
US-20170273966-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 MGAT2 33/4885TNF 3106/4885DPP4 371/4885
US-10568876-B2 Tetrahydroisoquinoline derivatives useful as inhibitors of diacylglyceride O-acyltransferase 2 DGAT2, DGAT1, MOGAT2 MGAT2 27/4885TNF 2878/4885DPP4 305/4885
US-20170275274-A1 ISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 MGAT2 24/4885TNF 3399/4885DPP4 474/4885

“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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