SCHEMBL5631314

SCHEMBL5631314

ON=C(Nc1ccc(F)c(Cl)c1)c1nonc1CNCCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.46
RAB9A P51151 1/20 0.44
EPHX2 P34913 4/20 0.43
LMNA P02545 2/20 0.42
BRAF P15056 2/20 0.42
ERBB2 P04626 1/20 0.42
KDR P35968 1/20 0.42
KMT2A Q03164 1/20 0.41
MAP3K8 P41279 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL5631304 1.00 EGFR (0.46) EGFRRAB9AEPHX2LMNABRAF
SCHEMBL5631270 0.95 EGFR (0.47) EGFREPHX2LMNABRAFERBB2
SCHEMBL5631259 0.95 EGFR (0.47) EGFREPHX2LMNABRAFERBB2
SCHEMBL4981715 0.89 LMNA (0.45) EGFRRAB9AEPHX2LMNABRAF
SCHEMBL4981727 0.89 LMNA (0.45) EGFRRAB9AEPHX2LMNABRAF
Trifluoroacetic Acid SCHEMBL5630684 0.89 EGFR (0.46) EGFREPHX2LMNABRAFERBB2
Trifluoroacetic Acid SCHEMBL5630691 0.89 EGFR (0.46) EGFREPHX2LMNABRAFERBB2
SCHEMBL14462338 0.89 EGFR (0.47) EGFRRAB9AEPHX2LMNABRAF
SCHEMBL5630729 0.88 HPGD (0.44) EGFRRAB9AEPHX2LMNAKMT2A
SCHEMBL5630724 0.88 HPGD (0.44) EGFRRAB9AEPHX2LMNAKMT2A

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
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP claimed
US-8951536-B2 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION (US) 2015-02-10 US claimed
US-20130177590-A1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2013-07-11 US claimed
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase INCYTE CORPORATION 2007-08-09 US claimed
EP-1971583-B1 N-HYDROXYAMIDINOHETEROCYCLES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORP (US) 2015-03-25 EP disclosed
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-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
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 EGFR 1553/4885RAB9A 3593/4885EPHX2 266/4885
US-20070185165-A1 N-hydroxyamidinoheterocycles as modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, HNMT EGFR 1553/4885RAB9A 3593/4885EPHX2 266/4885

“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.