SCHEMBL10100720

SCHEMBL10100720

COc1ccc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCCN4CCCC4)c(C)c3F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.40
TGFBR1 P36897 1/20 0.39
FYN P06241 2/20 0.39
HTR2C P28335 1/20 0.38
ESR1 P03372 1/20 0.37
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
PTPN1 P18031 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
AXL P30530 1/20 0.35
MERTK Q12866 1/20 0.35

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
SCHEMBL10100767 0.99 MCHR1 (0.40) MCHR1TGFBR1FYNHTR2CESR1
SCHEMBL10100453 0.94 MCHR1 (0.41) MCHR1TGFBR1FYNHTR2CESR1
SCHEMBL10100580 0.94 MCHR1 (0.40) MCHR1TGFBR1FYNHTR2CESR1
SCHEMBL10100779 0.93 MET (0.43) TGFBR1FYNBCHEACHEPTPN1
SCHEMBL10100768 0.93 ADORA2A (0.38) MCHR1FYNHTR2CESR1SMN1; SMN2
SCHEMBL10100717 0.91 HRH3 (0.36) MCHR1TGFBR1FYNESR1SMN1; SMN2
SCHEMBL10100711 0.90 BMPR1B (0.37) MCHR1TGFBR1FYNHTR2CESR1
SCHEMBL10100724 0.90 SMN1; SMN2 (0.37) HTR2CESR1SMN1; SMN2AXLMERTK
SCHEMBL10100716 0.90 ABL1 (0.36) HTR2CESR1MAP4K4SMN1; SMN2AXL
SCHEMBL10100709 0.89 SMN1; SMN2 (0.38) HTR2CESR1SMN1; SMN2AXLMERTK

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-8518938-B2 c-MET protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-27 US disclosed
US-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 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-20120165333-A1 C-MET PROTEIN KINASE INHIBITORS MET, PRKCH, ABL1 MCHR1 1746/4885TGFBR1 1365/4885FYN 532/4885

“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.