SCHEMBL5997842

SCHEMBL5997842

O=C(Nc1cnc(Nc2ccc(C(=O)N3CCNCC3)cc2)nc1)c1cc(O)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.52
▸ SRC P12931 2/20 0.52
▸ ABL1 P00519 2/20 0.52
▸ YES1 P07947 1/20 0.52
▸ PDGFRB P09619 1/20 0.52
▸ PTK2 Q05397 1/20 0.50
▸ CCNC P24863 10/20 0.48
▸ CDK8 P49336 10/20 0.48
▸ LCK P06239 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ CCNT1 O60563 2/20 0.44
▸ CDK1 P06493 2/20 0.44
▸ CDK4 P11802 2/20 0.44
▸ CCNA2 P20248 2/20 0.44
▸ CCND1 P24385 2/20 0.44
▸ CCNE1 P24864 2/20 0.44
▸ CDK2 P24941 2/20 0.44
▸ CCND3 P30281 2/20 0.44
▸ CDK9 P50750 2/20 0.44
▸ CDK3 Q00526 2/20 0.44

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
Hydrochloric Acid SCHEMBL5999389 0.99 KDR (0.51) KDRSRCABL1YES1PDGFRB
SCHEMBL5998458 0.89 MAPK14 (0.56) KDRSRCABL1PDGFRBLCK
SCHEMBL5995241 0.84 LMNA (0.56) SRCABL1
SCHEMBL5996063 0.79 PDGFRB (0.56) KDRSRCABL1PDGFRBLCK
SCHEMBL5996199 0.77 SRC (0.54) SRCPTK2CCNCCDK8LCK
SCHEMBL5996051 0.77 ABL1 (0.55) KDRSRCABL1LCKMAPK14
SCHEMBL5996066 0.76 LCK (0.45) KDRSRCABL1LCKMAPK14
SCHEMBL5997282 0.76 SRC (0.59) KDRSRCLCKMAPK14
SCHEMBL5995904 0.76 MAPT (0.47) KDRSRCABL1PDGFRBLCK
SCHEMBL2493237 0.75 MAPK14 (0.58) KDRSRCABL1PDGFRBLCK

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 KDR 348/4885SRC 2/4885ABL1 12/4885

“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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