SCHEMBL14907222

SCHEMBL14907222

Cc1ccncc1C(=O)N(C)C

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
KDM5A P29375 1/20 0.41
GPBAR1 Q8TDU6 10/20 0.40
TACR1 P25103 1/20 0.40
PKN1 Q16512 1/20 0.39
PKN2 Q16513 1/20 0.39
HSD17B1 P14061 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TYK2 P29597 1/20 0.38

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
SCHEMBL15563693 0.87 SIRT3 (0.59) SIRT3TDP1KDM5AGPBAR1TACR1
SCHEMBL21227703 0.82 SIRT3 (0.54) SIRT3TDP1GPBAR1TACR1HSD17B1
SCHEMBL17157497 0.82 SIRT3 (0.54) SIRT3TDP1GPBAR1TACR1HSD17B1
SCHEMBL24941110 0.82 SIRT3 (0.54) SIRT3TDP1KDM5AGPBAR1TACR1
SCHEMBL18757900 0.81 TDP1 (0.43) SIRT3TDP1KDM5ATACR1PKN1
SCHEMBL12261135 0.81 KDM5A (0.44) SIRT3TDP1KDM5APKN1PKN2
SCHEMBL16931058 0.80 SIRT3 (0.51) SIRT3TDP1KDM5AGPBAR1TACR1
SCHEMBL21227634 0.80 SIRT3 (0.51) SIRT3TDP1GPBAR1TACR1HSD17B1
SCHEMBL5700424 0.79 TDP1 (0.42) SIRT3TDP1KDM5APKN1PKN2
SCHEMBL827419 0.79 ROCK2 (0.51) SIRT3TDP1KDM5AGPBAR1PKN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
US-20230331722-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-10-19 US disclosed
US-20230142883-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-11 US disclosed
US-20230066136-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-03-02 US disclosed
US-11560381-B1 Compounds and uses thereof FOGHORN THERAPEUTICS INC. (US) 2023-01-24 US disclosed
EP-3362100-B1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2022-06-22 EP disclosed
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 US disclosed
WO-2019152440-A1 METHODS AND COMPOUNDS FOR TREATING DISORDERS FOGHORN THERAPEUTICS INC. (US) 2019-08-08 WO disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
WO-2017064675-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH, INC. (US) 2017-04-20 WO disclosed
US-9221841-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2015-12-29 US disclosed
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2015-07-09 US disclosed
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2014-01-16 US disclosed
US-8580828-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2013-11-12 US disclosed
US-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. 2013-05-02 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 (10 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-20130109656-A1 MITOTIC KINESIN INHIBITORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 SIRT3 1066/4885TDP1 179/4885KDM5A 608/4885
US-20150191490-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 SIRT3 1094/4885TDP1 239/4885KDM5A 670/4885
US-20230066136-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 SIRT3 1299/4885TDP1 1333/4885KDM5A 1380/4885
US-20230331722-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 SIRT3 1299/4885TDP1 1333/4885KDM5A 1380/4885
US-20230142883-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 SIRT3 1299/4885TDP1 1333/4885KDM5A 1380/4885
US-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY SIRT3 1406/4885TDP1 4712/4885KDM5A 2513/4885
US-20140018399-A1 MITOTIC KINESIN INHIBTORS AND METHODS OF USE THEREOF KIF5B, KIF2C, KIFC1 SIRT3 1094/4885TDP1 239/4885KDM5A 670/4885
US-11560381-B1 Compounds and uses thereof VHL, TFEB, BECN1 SIRT3 1299/4885TDP1 1333/4885KDM5A 1380/4885
US-20240067642-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 SIRT3 1299/4885TDP1 1333/4885KDM5A 1380/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY SIRT3 1406/4885TDP1 4712/4885KDM5A 2513/4885

“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.