SCHEMBL23075432

SCHEMBL23075432

c1cc(Cc2cn[nH]c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP3A4 P08684 3/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP11B1 P15538 4/20 0.42
CYP11B2 P19099 4/20 0.42
CYP17A1 P05093 3/20 0.42
CYP19A1 P11511 3/20 0.42
POLB P06746 1/20 0.40
NAMPT P43490 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
LTA4H P09960 1/20 0.39
LOXL2 Q9Y4K0 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
Hydrochloric Acid SCHEMBL23067815 0.98 HRH4 (0.44) HRH4HRH3CYP3A4MAPTSMN1; SMN2
SCHEMBL14131007 0.84 NOS2 (0.44)
SCHEMBL2872833 0.81 CALM1 (0.52) HRH3NAMPTLTA4H
Hydrochloric Acid SCHEMBL23068338 0.79 CALM1 (0.50) HRH3NAMPTLTA4H
SCHEMBL9275163 0.79 ESR1 (0.58)
SCHEMBL23075461 0.79 HRH4 (0.50) HRH4HRH3CYP11B1CYP11B2
SCHEMBL147944 0.78 METAP2 (0.42) SMN1; SMN2NAMPT
SCHEMBL31135323 0.78 CYP19A1 (0.49) CYP19A1NAMPT
SCHEMBL22968991 0.78 NTRK1 (0.42) LOXL2
SCHEMBL28089810 0.77 EPHB4 (0.49) CYP19A1NAMPTLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230057341-A1 HETEROCYCLIC RIP1 KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. 2023-02-23 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210070744-A1 HETEROCYCLIC RIP1 KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 US disclosed
WO-2021046447-A1 HETEROCYCLIC RIP1 KINASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 WO 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 (2 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-20210070744-A1 HETEROCYCLIC RIP1 KINASE INHIBITORS RIPK1, RIPK2, RIPK3 HRH4 3174/4885HRH3 2811/4885CYP3A4 4679/4885
US-20230057341-A1 HETEROCYCLIC RIP1 KINASE INHIBITORS RIPK1, RIPK2, RIPK3 HRH4 3174/4885HRH3 2811/4885CYP3A4 4679/4885

“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.