SCHEMBL25520041

SCHEMBL25520041

Cc1ccc(-n2cnc(Nc3nc(Cl)nc4ccsc34)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 6/20 0.55
▸ ADORA2A P29274 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ PAK1 Q13153 1/20 0.34
▸ PAK4 O96013 2/20 0.34
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ TUBB4A P04350 1/20 0.32
▸ TUBB P07437 1/20 0.32
▸ TUBA3C P0DPH7 1/20 0.32
▸ TUBA1B P68363 1/20 0.32
▸ TUBA4A P68366 1/20 0.32
▸ TUBB4B P68371 1/20 0.32
▸ TUBB3 Q13509 1/20 0.32
▸ TUBB2A Q13885 1/20 0.32
▸ TUBB8 Q3ZCM7 1/20 0.32

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
SCHEMBL20589445 0.89 ACVR1 (0.52) ACVR1ADORA2AADORA1POLBPAK4
SCHEMBL25195068 0.89 ACVR1 (0.65) ACVR1ADORA2AADORA1PAK4
SCHEMBL20589617 0.81 ACVR1 (0.53) ACVR1
SCHEMBL25214598 0.81 ACVR1 (0.45) ACVR1ADORA2AADORA1PAK1PAK4
Chloroform SCHEMBL20590105 0.78 ACVR1 (0.45) ACVR1ADORA2AADORA1PAK1PAK4
SCHEMBL25519935 0.78 ACVR1 (0.42) ACVR1PAK1PAK4SMN1; SMN2
SCHEMBL25207950 0.75 ACVR1 (0.38) ACVR1PAK4IDH1
SCHEMBL25201204 0.75 ACVR1 (0.47) ACVR1PAK4SMN1; SMN2HTT
SCHEMBL25196046 0.72 ACVR1 (0.50) ACVR1PAK4SMN1; SMN2
SCHEMBL25207467 0.72 ACVR1 (0.51) ACVR1POLBPAK4RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A ACVR1 4/4885ADORA2A 3254/4885ADORA1 3027/4885

“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.

Send feedback