SCHEMBL1690197

SCHEMBL1690197

CC(=O)Nc1nccc2cc(C)ccc12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ DYRK1A Q13627 2/20 0.42
▸ ADORA3 P0DMS8 6/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL8275614 0.80 LCK (0.50) KDM4EDYRK1AALDH1A1HDAC1
SCHEMBL4411955 0.79 FDPS (0.53) MEN1KMT2AKDM4EALDH1A1
SCHEMBL8297790 0.78 WNT3A (0.41) MEN1KMT2AKDM4EHSD17B10LMNA
SCHEMBL15108911 0.77 WNT3A (0.40) MEN1KMT2AKDM4EHSD17B10LMNA
SCHEMBL27038280 0.76 JAK2 (0.40) MEN1KMT2AKDM4EJAK2TYK2
SCHEMBL18666332 0.75 WNT3A (0.36) MEN1KMT2AADORA3JAK2TYK2
SCHEMBL13686770 0.72 MAPK1 (0.56) MEN1KMT2AKDM4EMAPTDYRK1A
SCHEMBL6526986 0.72 JAK2 (0.41) KDM4EHSD17B10MAPTCASP1ADORA3
SCHEMBL13963594 0.71 CASP6 (0.64) MEN1KMT2AKDM4EHSD17B10MAPT
SCHEMBL1536380 0.71 CYP1A2 (0.44) MEN1KMT2AKDM4EHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-15 — — US disclosed
US-9617224-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-11 — — US disclosed
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-17 — — US disclosed
US-9079860-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 — — US disclosed
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-07-24 — — US disclosed
US-8716492-B2 Five-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-06 — — US disclosed
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-04-12 — — 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-20170166560-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MEN1 1384/4885KMT2A 2123/4885KDM4E 988/4885
US-20120088758-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MEN1 1384/4885KMT2A 2123/4885KDM4E 988/4885
US-20150259297-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MEN1 1384/4885KMT2A 2123/4885KDM4E 988/4885
US-20140206706-A1 FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS F12, F11, F5 MEN1 1384/4885KMT2A 2123/4885KDM4E 988/4885

“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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