SCHEMBL31730909

SCHEMBL31730909

c1cc(-c2nc3c(N4CCOCC4)nc(-n4ccc(C5CCCNC5)n4)nc3[nH]2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK11 Q15759 2/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ MAPK9 P45984 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ SYK P43405 2/20 0.34
▸ KDR P35968 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ IRAK4 Q9NWZ3 10/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KDM1A O60341 1/20 0.33
▸ PRKD1 Q15139 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.32
▸ ROCK2 O75116 1/20 0.32

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
SCHEMBL25733532 1.00 MAPK11 (0.35) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL25229561 0.90 PIK3CA (0.34) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL25733488 0.89 AR (0.34) PRKD1ROCK2ROCK1
SCHEMBL31730968 0.89 AR (0.34) PRKD1ROCK2ROCK1
SCHEMBL25237798 0.82 PIK3CA (0.37) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL25279197 0.80 PIK3CA (0.34) MAPK11MAPK14MAPK13MAPK12
SCHEMBL25278157 0.79 PIK3CA (0.43) SYKKDRKCNH2IRAK4
SCHEMBL25280586 0.79 GPR119 (0.44) —
SCHEMBL31730901 0.77 KDM4E (0.35) KDM1AROCK2ROCK1
SCHEMBL25733408 0.77 KDM4E (0.35) KDM1AROCK2ROCK1

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-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 — — 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-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE MAPK11 2915/4885MAPK14 2319/4885MAPK13 3002/4885

“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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