SCHEMBL4245443

SCHEMBL4245443

O=C(O)c1cn(-c2cc(C(F)(F)F)nc3ccccc23)c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.46
RORC P51449 11/20 0.44
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IGF1R P08069 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
TNF P01375 1/20 0.40

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
Hydrochloric Acid SCHEMBL4237218 0.90 MAPT (0.47) ADRB2MAPTMAPK1RORCCYP3A4
SCHEMBL4240364 0.88 NR4A2 (0.56) ADRB2MAPTMAPK1MEN1KMT2A
SCHEMBL4245433 0.84 ADRB2 (0.43) ADRB2MAPTMAPK1RORCCYP3A4
Hydrochloric Acid SCHEMBL4240234 0.83 ADRB2 (0.43) ADRB2MAPTMAPK1RORCCYP3A4
SCHEMBL3041657 0.77 KDM4E (0.57) MAPK1ADORA2AADORA1MEN1KMT2A
SCHEMBL4239572 0.76 PDGFRB (0.46) ADRB2MAPTRORCCYP3A4CYP2C9
SCHEMBL4244849 0.76 RORC (0.43) ADRB2MAPTRORCCYP3A4CYP2C9
SCHEMBL4237212 0.74 TNFSF11 (0.44) RORCCYP3A4CYP2C9TNF
SCHEMBL25281959 0.72 RORC (0.55) RORCCYP3A4CYP2C9TNF
SCHEMBL4237119 0.71 NCF1 (0.47) RORCCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638521-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-12-29 US disclosed
US-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-28 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 (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-20040214820-A1 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C ADRB2 19/4885MAPT 1403/4885MAPK1 4166/4885

“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.