SCHEMBL2289014

SCHEMBL2289014

Oc1cccc(Nc2nccc(-c3sc(NCC4CCCO4)nc3C3CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALOX15 P16050 2/20 0.51
MAPK1 P28482 2/20 0.51
RECQL P46063 2/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CDK2 P24941 7/20 0.51
CCNT1 O60563 5/20 0.51
CCNA2 P20248 5/20 0.51
CDK9 P50750 5/20 0.51
CDK1 P06493 4/20 0.51
CCNB1 P14635 4/20 0.51
CDK7 P50613 4/20 0.51
CCNH P51946 4/20 0.51
CCNA1 P78396 4/20 0.51
CDK4 P11802 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 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
SCHEMBL2285536 0.90 CDK2 (0.51) LMNAALOX15MAPK1RECQLTSHR
SCHEMBL2281705 0.90 KCNH3 (0.54) LMNAALOX15MAPK1RECQLTSHR
SCHEMBL2286333 0.89 CDK2 (0.64) LMNAALOX15MAPK1RECQLTSHR
SCHEMBL2288955 0.88 CDK2 (0.55) LMNAALOX15MAPK1RECQLTSHR
SCHEMBL2286493 0.88 PAK4 (0.53) LMNAALOX15MAPK1TSHRKMT2A
SCHEMBL2283116 0.85 CDK2 (0.50) LMNAALOX15MAPK1RECQLTSHR
SCHEMBL2285408 0.84 LMNA (0.53) LMNAALOX15MAPK1RECQLTSHR
SCHEMBL2282479 0.82 CDK2 (0.56) CDK2CCNT1CCNA2CDK9CDK1
SCHEMBL2284203 0.81 CDK2 (0.55) MAPK1CDK2CCNT1CCNA2CDK9
SCHEMBL27741376 0.79 CDK2 (0.59) CDK2CCNT1CCNA2CDK9CDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 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 (2 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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX LMNA 3519/4885ALOX15 4274/4885MAPK1 3161/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 LMNA 3567/4885ALOX15 4215/4885MAPK1 3169/4885

“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.