SCHEMBL2962308

SCHEMBL2962308

Brc1ccnc2c1Cc1ccccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
ACHE P22303 4/20 0.41
BCHE P06276 1/20 0.41
METAP2 P50579 1/20 0.40
DYRK1A Q13627 2/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
KDR P35968 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL27833815 0.80 TRPA1 (0.35) KDM4EMEN1NPC1TP53CYP2D6
SCHEMBL8542955 0.79 ADORA1 (0.41) ADORA1ADORA2AACHEBCHEMETAP2
Pyrazine SCHEMBL27969491 0.71 PNMT (0.46) DYRK1ACDK1CDK2KDM4ENPC1
SCHEMBL2573139 0.71 PNMT (0.53) BCHEDYRK1AKDRKDM4ENPC1
SCHEMBL30322896 0.71 MEN1 (0.47) METAP2DYRK1AKDM4EMEN1NPC1
SCHEMBL69894 0.71 MEN1 (0.47) METAP2DYRK1AKDM4EMEN1NPC1
SCHEMBL18593832 0.70 KDR (0.51) ADORA1ADORA2AACHEBCHECDK1
SCHEMBL30825633 0.69 METAP2 (0.53) ADORA1ADORA2AACHEBCHEMETAP2
SCHEMBL29832687 0.69 METAP2 (0.53) ADORA1ADORA2AACHEBCHEMETAP2
SCHEMBL6424414 0.69 METAP2 (0.53) ADORA1ADORA2AACHEBCHEMETAP2

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-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 ADORA1 2858/4885ADORA2A 2590/4885ACHE 2031/4885

“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.