SCHEMBL30596233

SCHEMBL30596233

O=c1ccc2cc(-c3cnc(NCc4ccccc4)nc3)ccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.52
▸ POLB P06746 2/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ XDH P47989 1/20 0.44
▸ RECQL P46063 1/20 0.42
▸ VNN1 O95497 1/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL24137535 1.00 PKM (0.52) PKMPOLBRXFP1XDHRECQL
SCHEMBL24137564 0.82 PKM (0.49) PKMPOLBRXFP1XDHRECQL
SCHEMBL30596234 0.82 PKM (0.49) PKMPOLBRXFP1XDHRECQL
SCHEMBL22191095 0.82 PLK4 (0.50) RECQLVNN1HDAC6HDAC3HDAC1
SCHEMBL22190928 0.81 NPC1 (0.55) ROCK2GSK3BMAPK1CYP2C9CDK2
SCHEMBL24137561 0.79 ROCK2 (0.63) ROCK2GSK3BMAPK1CDK2CDC7
SCHEMBL28644765 0.78 PLK4 (0.55) XDHVNN1HDAC6HDAC3HDAC1
SCHEMBL24137514 0.77 VNN1 (0.48) XDHVNN1HDAC6HDAC3HDAC1
SCHEMBL22191705 0.76 BACE1 (0.54) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL24137529 0.76 FGFR1 (0.60) ROCK2GSK3BLMNAMAPK1CDK2

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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2023-07-27 — — 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-20230234935-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE PACSIN2, MAP3K20, PHKG1 PKM 462/4885POLB 1234/4885RXFP1 1655/4885

“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