SCHEMBL31501293

SCHEMBL31501293

CNC(=O)NCCN1Cc2nc(NCc3cccnc3)ccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 3/20 0.41
▸ RET P07949 2/20 0.41
▸ FES P07332 1/20 0.41
▸ MARK3 P27448 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ FLT4 P35916 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP1A2 P05177 3/20 0.39
▸ CYP3A4 P08684 3/20 0.39
▸ VNN1 O95497 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C19 P33261 2/20 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
SCHEMBL31119305 0.92 SCD (0.45) CLK4TP53ALDH1A1HPGDKDM4E
SCHEMBL31119280 0.90 ALDH1A1 (0.41) CLK4TP53ALDH1A1HPGDKDM4E
SCHEMBL31119298 0.88 KDM4E (0.44) TP53ALDH1A1HPGDKDM4ETSHR
SCHEMBL31119276 0.87 JAK1 (0.44) ALDH1A1TSHRKMT2ACYP1A2CYP3A4
SCHEMBL31119325 0.87 SCD (0.40) CLK4RETTP53ALDH1A1HPGD
SCHEMBL31119332 0.86 SCD (0.42) CLK4RETFESMARK3TYK2
SCHEMBL31119328 0.86 SCD (0.42) CLK4RETFESMARK3TYK2
SCHEMBL31119313 0.83 CYP1A2 (0.41) CLK4TP53ALDH1A1HPGDKDM4E
SCHEMBL31119271 0.81 CYP1A2 (0.40) CLK4TP53ALDH1A1HPGDKDM4E
SCHEMBL31119321 0.80 RET (0.39) RETALDH1A1TSHR

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-20250066353-A1 VANIN-1 INHIBITORS ATHOS THERAPEUTICS INC (US) 2025-02-27 — — 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-20250066353-A1 VANIN-1 INHIBITORS VCAM1, TMBIM6, VNN1 CLK4 3285/4885RET 2761/4885FES 2819/4885

“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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