SCHEMBL8469729

SCHEMBL8469729

O=c1c2ccccc2ncn1C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.52
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
BTK Q06187 1/20 0.44
HPGD P15428 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
CCR5 P51681 1/20 0.42
HTR6 P50406 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
HCAR1 Q9BXC0 2/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL30169464 1.00 ACVR1 (0.52) ACVR1JAK2JAK1KDM4ERAB9A
SCHEMBL17262978 0.89 ACVR1 (0.57) ACVR1KDM4ERAB9AHSD17B10NPC1
SCHEMBL31462148 0.89 ACVR1 (0.57) ACVR1KDM4ERAB9AHSD17B10NPC1
SCHEMBL31462149 0.89 ACVR1 (0.57) ACVR1KDM4ERAB9AHSD17B10NPC1
SCHEMBL29229455 0.86 ACVR1 (0.62) ACVR1KDM4ERAB9AHSD17B10NPC1
SCHEMBL29229460 0.86 ACVR1 (0.65) ACVR1KDM4ERAB9AHSD17B10NPC1
SCHEMBL29229450 0.85 ACVR1 (0.67) ACVR1KDM4ERAB9AHSD17B10NPC1
SCHEMBL29229517 0.85 ACVR1 (0.67) ACVR1KDM4ERAB9AHSD17B10NPC1
SCHEMBL23518636 0.83 ACVR1 (0.51) ACVR1KDM4ERAB9AHSD17B10NPC1
SCHEMBL16333798 0.83 ACVR1 (0.51) ACVR1KDM4ERAB9AHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11228569-A None JP disclosed
US-11535597-B2 Photoreactive ligands and uses thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-27 US disclosed
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF THE SCRIPPS RESEARCH INSTITUTE 2020-03-05 US disclosed
JP-H11228569-A 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME JAPAN TOBACCO INC 1999-08-24 JP disclosed
US-4166117-A HYPOTENSIVES SCIENCE UNION ET CIE (FR) 1979-08-28 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 (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-11535597-B2 Photoreactive ligands and uses thereof CLTB, CRYAB, CRYAA ACVR1 4490/4885JAK2 3776/4885JAK1 4278/4885
US-20200071277-A1 PHOTOREACTIVE LIGANDS AND USES THEREOF CLTB, CRYAB, CRYAA ACVR1 4490/4885JAK2 3776/4885JAK1 4278/4885

“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.