SCHEMBL5996051

SCHEMBL5996051

O=C(NCCN1CCCC1)c1ccc(Nc2ncc(NC(=O)c3cc(O)ccc3Cl)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.55
▸ KIT P10721 1/20 0.52
▸ BRAF P15056 1/20 0.51
▸ SRC P12931 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ LCK P06239 1/20 0.46
▸ KDR P35968 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ IKBKB O14920 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ IKBKG Q9Y6K9 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ CCR2 P41597 2/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ NAMPT P43490 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL5994762 0.93 ABL1 (0.53) ABL1KITBRAFSRCALDH1A1
SCHEMBL5998211 0.89 KIT (0.52) ABL1KITBRAFSRCALDH1A1
SCHEMBL5996220 0.85 SRC (0.56) ABL1SRCALDH1A1KDR
SCHEMBL5997190 0.85 SRC (0.56) ABL1BRAFSRCLCKKDR
SCHEMBL5996926 0.84 LCK (0.61) ABL1KITBRAFSRCALDH1A1
SCHEMBL2499022 0.83 BTK (0.64) ABL1BRAFSRCLCKKDR
SCHEMBL5995458 0.82 SRC (0.56) ABL1SRCALDH1A1LCKKDR
SCHEMBL5999296 0.80 KIT (0.54) ABL1KITBRAFSRCALDH1A1
SCHEMBL5995263 0.80 SRC (0.54) SRCKDR
SCHEMBL5995511 0.79 POLB (0.55) KITBRAFSRCLCKKDR

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-20060247250-A1 Pyrimidine inhibitors of kinases TARGEGEN, INC. (US) 2006-11-02 — — 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-20060247250-A1 Pyrimidine inhibitors of kinases DTYMK, SRC, DCK ABL1 12/4885KIT 209/4885BRAF 125/4885

“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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