SCHEMBL2438565

SCHEMBL2438565

Cc1nc(-c2cc[c]cc2)co1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 5/20 0.63
ENPP1 P22413 3/20 0.63
TP53 P04637 6/20 0.43
POLB P06746 2/20 0.43
THRB P10828 3/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
PARP1 P09874 1/20 0.39
LMNA P02545 1/20 0.39
SCN9A Q15858 1/20 0.38
MAPT P10636 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
SCHEMBL2265105 0.79 ENPP3 (0.68) ENPP3ENPP1TP53POLBTHRB
SCHEMBL12112408 0.79 ENPP3 (0.96) ENPP3ENPP1TP53POLBTHRB
SCHEMBL13484046 0.78 ENPP3 (0.66) ENPP3ENPP1TP53POLBTHRB
SCHEMBL2056109 0.76 ENPP3 (0.69) ENPP3ENPP1TP53POLBTHRB
SCHEMBL1169116 0.76 ENPP3 (0.69) ENPP3ENPP1TP53POLBTHRB
SCHEMBL24415640 0.76 ENPP3 (0.69) ENPP3ENPP1TP53POLBTHRB
SCHEMBL6986241 0.76 ENPP3 (0.69) ENPP3ENPP1TP53POLBTHRB
SCHEMBL10282407 0.76 TP53 (0.67) ENPP3ENPP1TP53POLBTHRB
SCHEMBL8210583 0.75 ENPP3 (0.49) ENPP3ENPP1TP53POLBKMT2A
SCHEMBL27618779 0.75 ENPP3 (0.49) ENPP3ENPP1TP53POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174293-A 4- (imidazo [1,2-a ] pyridin-3-yl) -pyrimidine derivatives 默克专利股份公司 2022-03-11 CN disclosed
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2014-09-11 US disclosed
US-8772336-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2014-07-08 US disclosed
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 US disclosed
US-8318748-B2 Cathepsin cysteine protease inhibitors Merck, Sharp & Dohme Corp. (US) 2012-11-27 US disclosed
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2011-09-22 US disclosed
EP-1482924-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-05-21 EP disclosed
US-7375134-B2 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders AXYS PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2005-10-27 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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ ENPP3 2119/4885ENPP1 1754/4885TP53 1444/4885
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ ENPP3 1634/4885ENPP1 1449/4885TP53 1934/4885
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ ENPP3 1634/4885ENPP1 1449/4885TP53 1934/4885
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders CTSE, CTSS, CTSB ENPP3 1405/4885ENPP1 497/4885TP53 3636/4885

“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.