SCHEMBL632379

SCHEMBL632379

c1cc(NCc2c[nH]cn2)cc(-n2ccnc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
ABL1 P00519 1/20 0.43
PDGFRB P09619 1/20 0.43
BCR P11274 1/20 0.43
SRC P12931 1/20 0.43
PDGFRA P16234 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
CYP3A4 P08684 2/20 0.40
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CYP2A6 P11509 1/20 0.38
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
SYK P43405 1/20 0.36
IDH1 O75874 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
SCHEMBL632495 0.86 ALDH1A1 (0.36) LIMK1LIMK2KDM4ENPC1ALDH1A1
SCHEMBL8214338 0.77 TAAR1 (0.55) IDO1ABL1PDGFRBBCRSRC
SCHEMBL632066 0.77 HDAC4 (0.43) KDM4EALDH1A1GAAMAPK1
SCHEMBL25124504 0.75 IDO1 (0.54) IDO1ABL1PDGFRBBCRSRC
SCHEMBL633536 0.74 TTBK1 (0.48) KDM4ENPC1GAARAB9A
SCHEMBL631864 0.72 KDM4E (0.47) CYP3A4KDM4EALDH1A1GAARAB9A
SCHEMBL30034533 0.72 KMT2A (0.48) KDM4ENPC1ALDH1A1GAARAB9A
SCHEMBL631952 0.72 IDO1 (0.40) IDO1CYP3A4NCOA3GFER
SCHEMBL632583 0.71 GAA (0.50) CYP3A4SYKNPC1ALDH1A1GAA
SCHEMBL631554 0.71 MAOA (0.55) KDM4ENPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 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-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R IDO1 57/4885ABL1 979/4885PDGFRB 1610/4885

“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.