SCHEMBL5317877

SCHEMBL5317877

COc1cc(C)c(C(N)=O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 7/20 1.00
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
SIRT6 Q8N6T7 1/20 0.51
POLB P06746 1/20 0.50
SIRT3 Q9NTG7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43

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
SCHEMBL14448315 0.84 NNMT (0.72) NNMTMKNK1MKNK2SIRT6POLB
SCHEMBL34467338 0.84 NNMT (0.72) NNMTMKNK1MKNK2SIRT6POLB
Hydrochloric Acid SCHEMBL5321130 0.82 NNMT (0.70) NNMTMKNK1MKNK2SIRT6POLB
SCHEMBL21040324 0.82 NNMT (0.70) NNMTMKNK1MKNK2SIRT6TDP1
SCHEMBL5322723 0.82 NNMT (0.70) NNMTMKNK1MKNK2SIRT6POLB
SCHEMBL31272529 0.82 NNMT (0.70) NNMTMKNK1MKNK2SIRT6POLB
SCHEMBL25569687 0.81 NNMT (0.69) NNMTMKNK1MKNK2SIRT6POLB
SCHEMBL16797950 0.81 NNMT (0.68) NNMTMKNK1MKNK2SIRT6POLB
SCHEMBL2253522 0.79 NNMT (0.66) NNMTMKNK1MKNK2SIRT6POLB
SCHEMBL31693169 0.79 NNMT (0.65) NNMTMKNK1MKNK2SIRT6POLB

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-12421228-B2 Naphthyridine derivatives as PRC2 inhibitors Mirati Therapeutics, Inc. (US) 2025-09-23 US disclosed
US-20230159470-A1 INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-05-25 US disclosed
US-20220213097-A1 NAPHTHYRIDINE DERIVATIVES AS PRC2 INHIBITORS Mirati Therapeutics, Inc. 2022-07-07 US disclosed
US-20220213097-A1 NAPHTHYRIDINE DERIVATIVES AS PRC2 INHIBITORS Mirati Therapeutics, Inc. 2022-07-07 US disclosed
EP-3959214-A1 NAPHTHYRIDINE DERIVATIVES AS PRC2 INHIBITORS Mirati Therapeutics, Inc. (US) 2022-03-02 EP disclosed
WO-2021163683-A1 INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-08-19 WO disclosed
WO-2020219448-A1 NAPHTHYRIDINE DERIVATIVES AS PRC2 INHIBITORS Mirati Therapeutics, Inc. (US) 2020-10-29 WO disclosed
WO-2020219448-A1 NAPHTHYRIDINE DERIVATIVES AS PRC2 INHIBITORS Mirati Therapeutics, Inc. (US) 2020-10-29 WO disclosed
WO-2007082131-A1 PROCESS FOR THE PREPARATION OF HYDROXY SUBSTITUTED HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO disclosed
WO-2007082131-A1 PROCESS FOR THE PREPARATION OF HYDROXY SUBSTITUTED HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO disclosed
US-20070161670-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161670-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
US-20070161670-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 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-20220213097-A1 NAPHTHYRIDINE DERIVATIVES AS PRC2 INHIBITORS BMI1, EZH2, SUZ12 NNMT 388/4885MKNK1 1177/4885MKNK2 848/4885
US-20070161670-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED HETEROCYCLES DPYD, DHPS, SDHA NNMT 395/4885MKNK1 2681/4885MKNK2 2207/4885
US-20230159470-A1 INHIBITORS OF NICOTINAMIDE N-METHYLTRANSFERASE, COMPOSITIONS AND USES THEREOF NNMT, NNT, NAMPT NNMT 1/4885MKNK1 1729/4885MKNK2 1854/4885
US-12421228-B2 Naphthyridine derivatives as PRC2 inhibitors BMI1, EZH2, SUZ12 NNMT 388/4885MKNK1 1177/4885MKNK2 848/4885

“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.