SCHEMBL10100768

SCHEMBL10100768

Cc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3ccc(F)cc3)cnc2N)c1F

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
FYN P06241 2/20 0.38
HTR2C P28335 7/20 0.37
HTR2A P28223 6/20 0.37
HTR2B P41595 2/20 0.37
MCHR1 Q99705 3/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KCNN4 O15554 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MAPK14 Q16539 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL10100582 0.93 ADORA2A (0.39) ADORA2AADORA1FYNHTR2CHTR2A
SCHEMBL10100720 0.93 MCHR1 (0.40) FYNHTR2CMCHR1SMN1; SMN2ESR1
SCHEMBL10100778 0.93 LRRK2 (0.42) ADORA2AADORA1FYNHTR2APIK3R1
SCHEMBL10100717 0.93 HRH3 (0.36) FYNMCHR1PIK3R1PIK3CATLR7
SCHEMBL10100767 0.92 MCHR1 (0.40) FYNHTR2CHTR2AHTR2BMCHR1
SCHEMBL10100711 0.92 BMPR1B (0.37) FYNHTR2CHTR2AHTR2BMCHR1
SCHEMBL10100724 0.92 SMN1; SMN2 (0.37) HTR2CHTR2AHTR2BPIK3R1PIK3CA
SCHEMBL10100716 0.92 ABL1 (0.36) HTR2CHTR2AHTR2BPIK3R1PIK3CA
SCHEMBL10100709 0.91 SMN1; SMN2 (0.38) HTR2CHTR2AHTR2BPIK3R1PIK3CA
SCHEMBL10100715 0.90 FYN (0.41) FYNHTR2CHTR2AMCHR1TLR7

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 ADORA2A 2697/4885ADORA1 3435/4885FYN 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.