SCHEMBL13810646

SCHEMBL13810646

Brc1cnc2ncc(Cc3ccccc3)n2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRNP P04156 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ MET P08581 2/20 0.35
▸ CALM1 P0DP23 1/20 0.34
▸ APOBEC3A P31941 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ P2RX7 Q99572 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL13810665 0.81 SMN1; SMN2 (0.48) METRAB9AKDM4EPOLBSMN1; SMN2
SCHEMBL1163189 0.76 MET (0.57) MET
SCHEMBL13810663 0.72 MET (0.68) METDYRK1BL3MBTL1
SCHEMBL13810662 0.69 KDR (0.49) METRAB9ASMN1; SMN2NPC1L3MBTL1
SCHEMBL31538786 0.68 GPR84 (0.57) RAB9AKDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL26146383 0.67 CALM1 (0.46) AOC3CALM1RAB9AKDM4ETAAR1
Bromide SCHEMBL31538776 0.67 GPR84 (0.56) RAB9AKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL31744906 0.67 GPR84 (0.49) RAB9AKDM4ESMN1; SMN2MAPTNPC1
SCHEMBL2014924 0.66 KMT2A (0.40) METRAB9AKDM4ESMN1; SMN2MAPT
SCHEMBL18766615 0.65 POLB (0.48) PRNPMETPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156617-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-06-18 — — 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-20090156617-A1 Tyrosine kinase inhibitors ABL1, ERBB2, MET PRNP 3971/4885AOC3 3844/4885MET 3/4885

“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.

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