SCHEMBL30142387

SCHEMBL30142387

O=C(NC1CCNCC1)c1n[nH]c2c(F)cccc12

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 10/20 0.62
WNT1 P04628 8/20 0.62
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CCNA2 P20248 3/20 0.52
CDK2 P24941 3/20 0.52
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNA1 P78396 1/20 0.52
GSK3B P49841 4/20 0.49
KCNH2 Q12809 4/20 0.49
SMYD3 Q9H7B4 1/20 0.49
HTR4 Q13639 1/20 0.48

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
SCHEMBL30142316 0.86 DYRK1A (0.64) DYRK1AWNT1NPC1RAB9A
SCHEMBL30142298 0.85 GSK3B (0.53) DYRK1AWNT1NPC1RAB9AGSK3B
SCHEMBL30142364 0.82 DYRK1A (0.57) DYRK1AWNT1NPC1RAB9A
SCHEMBL30142335 0.82 DYRK1A (0.57) DYRK1AWNT1NPC1RAB9A
SCHEMBL4384530 0.79 NPC1 (0.82) DYRK1AWNT1NPC1RAB9ACCNA2
SCHEMBL30142285 0.77 YTHDC1 (0.59) DYRK1AWNT1NPC1RAB9ACCNA2
SCHEMBL17096002 0.77 DYRK1A (1.00) DYRK1AWNT1GSK3BKCNH2
SCHEMBL15397920 0.77 WNT1 (0.42) DYRK1AWNT1CCNA2CDK2CDK1
SCHEMBL30142319 0.75 RAB9A (0.48) DYRK1AWNT1NPC1RAB9A
SCHEMBL23535044 0.75 DYRK1A (0.86) DYRK1AWNT1GSK3BKCNH2

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-20220388964-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS HIBERCELL, INC. 2022-12-08 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-20220388964-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS EIF2AK4, GCN1, GNAI2 DYRK1A 3529/4885WNT1 2112/4885NPC1 1141/4885

“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.