SCHEMBL1650438

SCHEMBL1650438

Oc1ccc2ccncc2c1O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 1/20 0.50
EP300 Q09472 1/20 0.47
KAT2B Q92831 1/20 0.47
KAT8 Q9H7Z6 1/20 0.47
ERN1 O75460 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPKAPK2 P49137 1/20 0.44
LCK P06239 3/20 0.43
CLK1 P49759 1/20 0.43
DYRK1A Q13627 1/20 0.43
MAPK10 P53779 3/20 0.42
HIPK2 Q9H2X6 1/20 0.41
P4HB P07237 1/20 0.40
TNF P01375 1/20 0.40
DAO P14920 1/20 0.38
EGFR P00533 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.36

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
Bromide SCHEMBL9548953 0.98 PTPN22 (0.48) PTPN22EP300KAT2BKAT8ERN1
SCHEMBL9827957 0.83 ERN1 (0.59) PTPN22EP300KAT2BKAT8ERN1
SCHEMBL3240722 0.79 POLB (0.53) EP300KAT2BKAT8ERN1KDM4E
SCHEMBL27332884 0.79 EP300 (0.53) EP300KAT2BKAT8ERN1KDM4E
SCHEMBL11478088 0.79 EP300 (0.44) EP300KAT2BKAT8ERN1KDM4E
SCHEMBL24608162 0.79 AXL (0.44) EP300KAT2BKAT8ERN1KDM4E
SCHEMBL17308538 0.79 MAPK10 (0.44) EP300KAT2BKAT8ERN1KDM4E
SCHEMBL29751627 0.79 AXL (0.44) EP300KAT2BKAT8ERN1KDM4E
SCHEMBL672509 0.78 CLK1 (0.54) KDM4EMAPKAPK2CLK1DYRK1AMAPK10
SCHEMBL29569821 0.78 CLK1 (0.54) KDM4EMAPKAPK2CLK1DYRK1AMAPK10

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
US-4742053-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US claimed
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP claimed
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 US disclosed
US-5194433-A Improved effectiveness against resistant bacteria BRISTOL-MYERS SQUIBB COMPANY (US) 1993-03-16 US disclosed
EP-0485808-A2 Antibiotic C-3 catechol-substituted cephalosporin compounds, compositions and use thereof Bristol-Myers Squibb Company (US) 1992-05-20 EP disclosed
EP-0182210-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-02-27 EP disclosed
US-4742053-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
EP-0182210-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-05-28 EP 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 (2 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL PTPN22 2156/4885EP300 576/4885KAT2B 1774/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 PTPN22 810/4885EP300 89/4885KAT2B 926/4885

“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.