SCHEMBL25514816

SCHEMBL25514816

COc1c(C)cc(N)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
TSHR P16473 1/20 0.38
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
BACE1 P56817 1/20 0.34
KCNH2 Q12809 1/20 0.34
AR P10275 5/20 0.34
IMPDH2 P12268 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL20589615 0.81 KDM4E (0.59) KDM4EALDH1A1USP2HSD17B10MAPT
SCHEMBL31095269 0.81 KDM4E (0.59) KDM4EALDH1A1USP2HSD17B10MAPT
SCHEMBL25027218 0.79 KDM4E (0.49) KDM4EALDH1A1USP2HSD17B10GAA
SCHEMBL655455 0.79 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1
SCHEMBL28975511 0.77 TSHR (0.38) KDM4EALDH1A1USP2TSHRBACE1
SCHEMBL2432958 0.77 GPR35 (0.38) KDM4EALDH1A1USP2TSHRHSD17B10
SCHEMBL31287360 0.77 GPR35 (0.38) KDM4EALDH1A1USP2TSHRHSD17B10
Hydrochloric Acid SCHEMBL8931696 0.77 ALDH1A1 (0.41) KDM4EALDH1A1TSHRGAAMAPT
SCHEMBL13848695 0.76 MAPK14 (0.38) KDM4EALDH1A1USP2TSHRAR
SCHEMBL11921125 0.75 ALDH1A1 (0.42) KDM4EALDH1A1USP2TSHRHSD17B10

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-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-08-31 US disclosed
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 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-20230271975-A1 IMIDAZOLE-CONTAINING INHIBITORS OF ALK2 KINASE ALK, ACVR2B, ACVR2A KDM4E 507/4885ALDH1A1 980/4885USP2 2020/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A KDM4E 507/4885ALDH1A1 980/4885USP2 2020/4885

“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.