SCHEMBL5374601

SCHEMBL5374601

NC(=O)c1ccc2c(c1)ncn2N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.50
JAK2 O60674 3/20 0.43
JAK1 P23458 3/20 0.43
TYK2 P29597 3/20 0.43
JAK3 P52333 3/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
OPRD1 P41143 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
PARP1 P09874 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
HPGD P15428 2/20 0.38
HCAR3 P49019 1/20 0.37
BMPR1B O00238 1/20 0.37
ACVR1B P36896 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 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
SCHEMBL4094218 0.78 HPGD (0.48) FGFR1KMT2APARP1HPGD
SCHEMBL4085560 0.78 HPGD (0.54) FGFR1KMT2AHSD17B10HPGD
SCHEMBL4556494 0.77 FGFR1 (0.52) FGFR1OPRD1KMT2A
SCHEMBL5732760 0.77 FGFR1 (0.52) FGFR1JAK2JAK1TYK2JAK3
SCHEMBL4081517 0.77 HPGD (0.49) FGFR1KMT2AGAAHPGD
SCHEMBL4091949 0.77 CHEK2 (0.43) FGFR1HPGD
SCHEMBL4094333 0.77 FGFR1 (0.46) FGFR1KMT2AGAAHPGD
SCHEMBL4093385 0.76 FGFR1 (0.42) FGFR1OPRD1KMT2A
SCHEMBL5732957 0.76 NAMPT (0.54) FGFR1JAK2JAK1TYK2JAK3
SCHEMBL4087317 0.76 HPGD (0.56) KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
US-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. 2003-04-17 US disclosed
US-6340685-B1 ANTIINFLAMMATORY AGENTS SCIOS, INC. 2002-01-22 US disclosed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
US-6130235-A PIPERIDINE MOIETIES COUPLED TO INDOLE, BENZIMIDAZOLE OR BENZOTRIAZOLE. SCIOS INC. (US) 2000-10-10 US disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 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 (1 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-20030073699-A1 Compounds and methods to treat cardiac failure and other disorders RCOR1, NR3C2, CNR1 FGFR1 1038/4885JAK2 1348/4885JAK1 1623/4885

“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.