SCHEMBL29901355

SCHEMBL29901355

CN(CCN)c1ccncn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
SLC6A2 P23975 1/20 0.40
PRKCH P24723 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38
HSP90AA1 P07900 1/20 0.38
PRKCI P41743 3/20 0.36
PTPN11 Q06124 1/20 0.36
POLB P06746 2/20 0.36
P2RX7 Q99572 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
HCAR3 P49019 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
PRMT8 Q9NR22 1/20 0.32
PKM P14618 1/20 0.31
CHRM5 P08912 1/20 0.30

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
SCHEMBL5884271 0.81 POLB (0.56) HRH3SLC6A2HSP90AA1POLBP2RX7
SCHEMBL30775420 0.79 SLC6A2 (0.43) HRH3SLC6A2HSP90AA1P2RX7CHRM5
SCHEMBL14344891 0.79 SLC6A2 (0.43) HRH3SLC6A2HSP90AA1P2RX7CHRM5
SCHEMBL2104942 0.77 SLC6A2 (0.39) HRH3SLC6A2HSP90AA1POLBP2RX7
SCHEMBL844392 0.76 CYP2D6 (0.55) HRH3SLC6A2POLBPKMCHRM5
SCHEMBL11257271 0.74
SCHEMBL22931659 0.73 HSP90AA1 (0.42) HRH3SLC6A2HSP90AA1P2RX7JAK2
SCHEMBL1321225 0.73
SCHEMBL30775432 0.73
SCHEMBL4700413 0.72 CHRM5 (0.50) PRKCHPRKCEPRKCQPRKCDPRKCI

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-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-03-30 US disclosed
EP-4065231-A1 COVALENT RAS INHIBITORS AND USES THEREOF Revolution Medicines, Inc. (US) 2022-10-05 EP 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-20230100838-A1 COVALENT RAS INHIBITORS AND USES THEREOF KRAS, NRAS, HRAS HRH3 2822/4885SLC6A2 4395/4885PRKCH 316/4885

“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.