SCHEMBL5630772

SCHEMBL5630772

CC1CCCCN1CCNCc1nonc1/C(=N\O)Nc1ccc(F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
CSNK2A1 P68400 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
MCHR1 Q99705 1/20 0.38
TERT O14746 2/20 0.37
CXCR4 P61073 6/20 0.37
MLLT1 Q03111 1/20 0.37
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 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
SCHEMBL5630784 1.00 GAA (0.42) GAACSNK2A1HTR2AHTR2CMCHR1
SCHEMBL14462342 0.92 GAA (0.41) GAACSNK2A1HTR2AHTR2CMCHR1
SCHEMBL15100413 0.90 GAA (0.43) GAACSNK2A1HTR2AHTR2CMCHR1
SCHEMBL5630729 0.86 HPGD (0.44) SMN1; SMN2EGFRMAPTHPGD
SCHEMBL5630724 0.86 HPGD (0.44) SMN1; SMN2EGFRMAPTHPGD
SCHEMBL5630797 0.85 IDO1 (0.49)
SCHEMBL5631347 0.83 L3MBTL1 (0.37) SMN1; SMN2EGFRHPGD
SCHEMBL5631335 0.83 L3MBTL1 (0.37) SMN1; SMN2EGFRHPGD
SCHEMBL5631270 0.81 EGFR (0.47) GAASMN1; SMN2EGFRERBB2
SCHEMBL5631259 0.81 EGFR (0.47) GAASMN1; SMN2EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP claimed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US disclosed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US disclosed
US-8450351-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2013-05-28 US disclosed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 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 (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-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, HNMT GAA 1236/4885CSNK2A1 2887/4885HTR2A 20/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT GAA 1236/4885CSNK2A1 2887/4885HTR2A 20/4885

“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.