SCHEMBL16615936

SCHEMBL16615936

COC(=O)c1cnc(CN)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.47
SIRT6 Q8N6T7 2/20 0.43
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
LCK P06239 1/20 0.39
POLB P06746 1/20 0.38
PCSK9 Q8NBP7 1/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37

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
SCHEMBL31390521 1.00 MAPK1 (0.47) MAPK1SIRT6KDM4EL3MBTL1LOXL2
Hydrochloric Acid SCHEMBL1566955 0.98 MAPK1 (0.46) MAPK1SIRT6KDM4EL3MBTL1LOXL2
SCHEMBL12844583 0.84 MAPK1 (0.49) MAPK1SIRT6KDM4EL3MBTL1LCK
SCHEMBL991320 0.84 MAPK1 (0.49) MAPK1SIRT6KDM4EL3MBTL1LCK
SCHEMBL12184767 0.83 POLB (0.46) KDM4EL3MBTL1POLBGABRPGABRD
SCHEMBL30445565 0.83 POLB (0.46) KDM4EL3MBTL1POLBGABRPGABRD
SCHEMBL68869 0.82 MAPK1 (0.63) MAPK1SIRT6KDM4EL3MBTL1LCK
SCHEMBL11030074 0.82 MAPK1 (0.47) MAPK1SIRT6KDM4EL3MBTL1LCK
SCHEMBL31390501 0.82 MAPK1 (0.47) MAPK1SIRT6KDM4EL3MBTL1LCK
SCHEMBL6917612 0.82 MAPK1 (0.47) MAPK1SIRT6KDM4EL3MBTL1LCK

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
WO-2025041160-A1 BIFUNCTIONAL CONJUGATE MOLECULES FOR CANCER TREATMENT AND PROCESS OF MAKING THE SAME BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE (BITS), PILANI (IN) 2025-02-27 WO disclosed
US-10870624-B2 Histone deacetylase inhibitors KARUS THERAPEUTICS LIMITED (GB) 2020-12-22 US disclosed
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS KARUS THERAPEUTICS LIMITED (GB) 2018-06-21 US disclosed
US-9963434-B2 N-arylmethyl sulfonamide negative modulators of NR2A LUC THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-9963434-B2 N-arylmethyl sulfonamide negative modulators of NR2A LUC THERAPEUTICS, INC. (US) 2018-05-08 US disclosed
US-20160311782-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A NOVARTIS AG (CH) 2016-10-27 US disclosed
US-20160311782-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A NOVARTIS AG (CH) 2016-10-27 US disclosed
US-20150141433-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. 2015-05-21 US disclosed
US-20150141433-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. 2015-05-21 US disclosed
WO-2015048503-A2 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A MNEMOSYNE PHARMACEUTICALS, INC. (US) 2015-04-02 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 (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-20160311782-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A GRIN2A, GRIN2B, NR2C2 MAPK1 3620/4885SIRT6 2442/4885KDM4E 2241/4885
US-20180170876-A1 NOVEL HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC5, HDAC11 MAPK1 1092/4885SIRT6 66/4885KDM4E 146/4885
US-10870624-B2 Histone deacetylase inhibitors HDAC1, HDAC5, HDAC2 MAPK1 1905/4885SIRT6 66/4885KDM4E 133/4885
US-20150141433-A1 N-ARYLMETHYL SULFONAMIDE NEGATIVE MODULATORS OF NR2A GRIN2A, GRIN2B, NR2C2 MAPK1 3620/4885SIRT6 2442/4885KDM4E 2241/4885

“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.