SCHEMBL10100754

SCHEMBL10100754

Cc1c(OCCN2CCOCC2)ccc(-n2nnnc2-c2cc(-c3csc4ccccc34)cnc2N)c1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
MET P08581 1/20 0.35
PTGER2 P43116 2/20 0.35
SIGMAR1 Q99720 1/20 0.35
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
KIT P10721 3/20 0.35
KDR P35968 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.34
ALK Q9UM73 1/20 0.34
FLT3 P36888 2/20 0.34
LRRK2 Q5S007 1/20 0.34
PIK3CA P42336 1/20 0.34
HTR2C P28335 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL10100567 0.94 MET (0.36) ALDH1A1LMNAHIF1AMETPTGER2
SCHEMBL10100719 0.94 NOS3 (0.35) PTGER2KITKDRFLT3HTR2C
SCHEMBL10100450 0.88 NOS3 (0.36) PTGER2KDRHTR2CHTR2A
SCHEMBL10100755 0.87 HTR2C (0.40) LMNAHIF1AOXTRAVPR1AKIT
SCHEMBL10100753 0.86 FYN (0.41) METSIGMAR1OXTRAVPR1AKIT
SCHEMBL10100742 0.86 KIT (0.36) ALDH1A1LMNAHIF1AMETKIT
SCHEMBL10100777 0.86 SMN1; SMN2 (0.42) METOXTRAVPR1AKITKDR
SCHEMBL10100776 0.86 NTRK1 (0.40) METOXTRAVPR1AKITKDR
SCHEMBL10100756 0.85 KDR (0.40) METKITKDRP2RX7ALK
SCHEMBL10100778 0.85 LRRK2 (0.42) METOXTRAVPR1AKITP2RX7

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 ALDH1A1 1951/4885LMNA 3592/4885HIF1A 573/4885

“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.