SCHEMBL10100717

SCHEMBL10100717

Cc1c(OCCN2CCCC2)ccc(-n2nnnc2-c2cc(-c3ccncc3)cnc2N)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
BMPR1B O00238 1/20 0.36
PRKAB2 O43741 1/20 0.36
LCK P06239 1/20 0.36
YES1 P07947 1/20 0.36
THRB P10828 1/20 0.36
BMP4 P12644 1/20 0.36
SRC P12931 1/20 0.36
FLT1 P17948 1/20 0.36
EIF2AK2 P19525 1/20 0.36
EPHA2 P29317 1/20 0.36
KDR P35968 1/20 0.36
BMPR1A P36894 1/20 0.36
ACVR1B P36896 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
TGFBR2 P37173 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
ACVR1 Q04771 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
SCHEMBL10100711 0.99 BMPR1B (0.37) HRH3BMPR1BPRKAB2LCKYES1
SCHEMBL10100442 0.94 BMPR1B (0.37) HRH3BMPR1BPRKAB2LCKYES1
SCHEMBL10100776 0.93 NTRK1 (0.40) PRKAB2LCKBMP4SRCFLT1
SCHEMBL10100716 0.93 ABL1 (0.36) SRCKDRTLR7SMN1; SMN2KDM4E
SCHEMBL10100768 0.93 ADORA2A (0.38) TLR7SMN1; SMN2MCHR1FYNPIK3R1
SCHEMBL10100414 0.93 FLT1 (0.38) HRH3BMPR1BPRKAB2LCKYES1
SCHEMBL10100724 0.91 SMN1; SMN2 (0.37) KDRTLR7SMN1; SMN2KDM4EPIK3R1
SCHEMBL10100720 0.91 MCHR1 (0.40) TGFBR1SMN1; SMN2MCHR1FYNAXL
SCHEMBL10100709 0.90 SMN1; SMN2 (0.38) KDRTLR7SMN1; SMN2KDM4EPIK3R1
SCHEMBL10100767 0.90 MCHR1 (0.40) TGFBR1MCHR1FYNESR1

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 HRH3 3184/4885BMPR1B 907/4885PRKAB2 189/4885

“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.