SCHEMBL3607206

SCHEMBL3607206

COc1ncccc1-c1ccnc(Nc2cccc(C(=O)NCCN(C)C)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.59
CDK19 Q9BWU1 1/20 0.59
CDK2 P24941 4/20 0.57
CDK4 P11802 1/20 0.57
GSK3B P49841 1/20 0.57
ABL1 P00519 3/20 0.52
CCNT1 O60563 3/20 0.52
CDK9 P50750 3/20 0.52
SRC P12931 2/20 0.52
EGFR P00533 1/20 0.52
CCNE1 P24864 1/20 0.52
SYK P43405 3/20 0.52
CCNA2 P20248 2/20 0.52
CCNA1 P78396 1/20 0.52
BCR P11274 2/20 0.51
IKBKB O14920 1/20 0.51
CHUK O15111 1/20 0.51
IKBKG Q9Y6K9 1/20 0.51
PTK2 Q05397 2/20 0.48
BRAF P15056 1/20 0.47

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
SCHEMBL3611706 0.88 ABL1 (0.52) CDK2CDK4GSK3BABL1CDK9
SCHEMBL3614099 0.83 ABL1 (0.63) GSK3BABL1CCNT1CDK9SRC
SCHEMBL3616129 0.82 ABL1 (0.56) GSK3BABL1SRCSYKBCR
SCHEMBL3609221 0.81 ABL1 (0.57) CDK2CDK4GSK3BABL1CDK9
SCHEMBL3613419 0.79 ABL1 (0.57) CDK2CDK4GSK3BABL1CDK9
SCHEMBL12509694 0.79 IKBKB (0.62) CDC7CDK19CDK2CDK4GSK3B
SCHEMBL4381439 0.79 CDC7 (0.71) CDC7CDK19CDK2ABL1CCNT1
SCHEMBL12423443 0.78 IKBKB (0.61) CDC7CDK19CDK2CDK4GSK3B
SCHEMBL3598695 0.77 JAK2 (0.56) GSK3BABL1CDK9SRCEGFR
SCHEMBL3610161 0.74 CDK9 (0.56) CDK2CDK4GSK3BABL1CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 CDC7 4102/4885CDK19 3733/4885CDK2 3078/4885

“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.