SCHEMBL2279003

SCHEMBL2279003

Cc1nc2c(s1)-c1nc(Nc3ccc4c(c3)OCCO4)ncc1CC2

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 14/20 0.67
CDK1 P06493 14/20 0.67
CCNB1 P14635 14/20 0.67
CCNE1 P24864 14/20 0.67
CDK2 P24941 14/20 0.67
CDK9 P50750 14/20 0.67
CDK7 P50613 13/20 0.67
CCNH P51946 13/20 0.67
CDK4 P11802 12/20 0.67
CCND1 P24385 12/20 0.67
MAPT P10636 4/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.47
BRD4 O60885 1/20 0.46
STK17A Q9UEE5 1/20 0.46

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
SCHEMBL1531479 0.81 CDK2 (1.00) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL11295191 0.80 CDK2 (0.74) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL1531503 0.80 CDK2 (1.00) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL1531474 0.79 CDK2 (1.00) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL1531473 0.79 CDK2 (1.00) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL1531520 0.79 CDK2 (1.00) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL1531622 0.79 CDK2 (1.00) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL1531510 0.79 CDK2 (1.00) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL1531440 0.77 CDK2 (1.00) CCNT1CDK1CCNB1CCNE1CDK2
SCHEMBL2430242 0.76 CCNT1 (0.72) CCNT1CDK1CCNB1CCNE1CDK2

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 CCNT1 513/4885CDK1 793/4885CCNB1 766/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 CCNT1 528/4885CDK1 857/4885CCNB1 772/4885

“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.