SCHEMBL25937427

SCHEMBL25937427

C[C@H](Nc1cncc(-c2cccc(NCCNc3ccccc3)c2)c1)C1=CCCC=C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 4/20 0.41
▸ ADRA1D P25100 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ FDPS P14324 2/20 0.37
▸ CTSK P43235 2/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ PRMT6 Q96LA8 4/20 0.34
▸ KDR P35968 4/20 0.32
▸ SYK P43405 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ FGFR2 P21802 1/20 0.31

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
SCHEMBL25937496 0.86 ERCC1 (0.38) FDPSPRMT6CDK8
SCHEMBL24137805 0.81 HTR7 (0.60) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL24137806 0.69 METAP2 (0.54) KDR
SCHEMBL24137867 0.67 HTR7 (0.47) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL25937910 0.66 HTR7 (0.51) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL24137550 0.65 HTR7 (0.50) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL27405411 0.65 FDPS (0.60) HTR7FDPSFLT3
SCHEMBL24137863 0.63 CDK7 (0.46) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL14160418 0.62 MAPT (0.45) —
Lithium SCHEMBL5199989 0.62 TDP1 (0.45) —

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 HTR7 2493/4885ADRA1D 1291/4885HTR2C 2244/4885

“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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