SCHEMBL10100778

SCHEMBL10100778

Cc1c(OCCN2CCOCC2)ccc(-n2nnnc2-c2cc(-c3ccc(F)cc3)cnc2N)c1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.42
MET P08581 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
KIT P10721 1/20 0.40
PIK3CA P42336 2/20 0.39
P2RX7 Q99572 1/20 0.39
ALK Q9UM73 1/20 0.39
PIK3R1 P27986 1/20 0.38
HTR2A P28223 1/20 0.37
MAPK14 Q16539 1/20 0.37
FYN P06241 1/20 0.37
AXL P30530 1/20 0.37

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
SCHEMBL10100594 0.94 MET (0.42) LRRK2METOXTRAVPR1AADORA2A
SCHEMBL10100779 0.93 MET (0.43) LRRK2METOXTRAVPR1AKIT
SCHEMBL10100776 0.93 NTRK1 (0.40) LRRK2METOXTRAVPR1AKIT
SCHEMBL10100768 0.93 ADORA2A (0.38) ADORA2AADORA1PIK3CAPIK3R1HTR2A
SCHEMBL10100748 0.92 ALK (0.39) LRRK2METOXTRAVPR1AKIT
SCHEMBL10100751 0.92 POLB (0.40) LRRK2METKITPIK3CAP2RX7
SCHEMBL10100706 0.91 MET (0.40) LRRK2METKITPIK3CAP2RX7
SCHEMBL10100747 0.90 ALK (0.45) LRRK2METKITP2RX7ALK
SCHEMBL10100755 0.89 HTR2C (0.40) LRRK2OXTRAVPR1AKITPIK3CA
SCHEMBL10100756 0.89 KDR (0.40) LRRK2METKITPIK3CAP2RX7

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 LRRK2 856/4885MET 1/4885OXTR 4534/4885

“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.