SCHEMBL25512847

SCHEMBL25512847

Cc1cccc(-n2cnc(N)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ DHFR P00374 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ KHK P50053 1/20 0.39
▸ CYP2E1 P05181 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39

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
SCHEMBL20588845 0.80 ALDH1A1 (0.50) ALDH1A1NPC1HTTRAB9AXDH
SCHEMBL25202979 0.79 PI4KA (0.47) KMT2AMGLLADORA3ADORA2AL3MBTL1
SCHEMBL31095252 0.79 PI4KA (0.47) KMT2AMGLLADORA3ADORA2AL3MBTL1
SCHEMBL17940694 0.79 HSP90AA1 (0.40) ALDH1A1KDM4EXDHHSP90AA1MGLL
SCHEMBL25512834 0.78 CYP1A2 (0.40) ALDH1A1KDM4ENPC1RAB9AHSD17B10
Hydrochloric Acid SCHEMBL20589689 0.78 PI4KA (0.46) KMT2AMGLLADORA3ADORA2AL3MBTL1
Hydrochloric Acid SCHEMBL28483789 0.78 IDO1 (0.50) ALDH1A1NPC1RAB9AHSD17B10XDH
SCHEMBL5366202 0.77 NPC1 (0.44) NPC1HTTRAB9ACYP2E1CYP2A6
SCHEMBL18122023 0.77 RAB9A (0.58) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL20589920 0.76 FGFR1 (0.42) DHFRKMT2ATSHR

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 ALDH1A1 980/4885KDM4E 507/4885NPC1 1978/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A ALDH1A1 980/4885KDM4E 507/4885NPC1 1978/4885

“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.

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