SCHEMBL29174993

SCHEMBL29174993

CC(C)(C)n1ncc2c(O)nc(C3CC3)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
KMT2A Q03164 4/20 0.33
CYP1A2 P05177 2/20 0.32
CYP17A1 P05093 1/20 0.32
PDE1C Q14123 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 3/20 0.30
TSHR P16473 3/20 0.30
HPGD P15428 2/20 0.30
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KDM4E B2RXH2 2/20 0.30
SCN9A Q15858 1/20 0.30
SCN10A Q9Y5Y9 1/20 0.30
CHRM3 P20309 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
SCHEMBL29174759 0.84 PDE10A (0.43) PDE2ANPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL30095840 0.83 PDE2A (0.46) PDE2ARAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL29174903 0.83 PDE2A (0.46) PDE2ARAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL30748224 0.77 MAT2A (0.41) SMN1; SMN2KMT2ACYP1A2TP53ALDH1A1
SCHEMBL29174825 0.77 MAT2A (0.41) SMN1; SMN2KMT2ACYP1A2TP53ALDH1A1
SCHEMBL29174824 0.77 KDM4E (0.52) RAB9AKMT2AKDM4EPDE8B
SCHEMBL30095689 0.77 KDM4E (0.52) RAB9AKMT2AKDM4EPDE8B
SCHEMBL31051075 0.76 GRM1 (0.36) PDE1C
SCHEMBL29175058 0.75 GAA (0.43) PDE2ANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL30748213 0.73 PDE9A (0.37) KMT2APDE1CKDM4EPDE8B

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-20240270750-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-08-15 US disclosed
CN-117529315-A Imidazole-containing ALK2 kinase inhibitors 生物水晶制药公司 2024-02-06 CN 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-20240270750-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A PDE2A 370/4885NPC1 1978/4885RAB9A 2837/4885

“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.