Sugi Predict

Sugi Predict / Compounds / SCHEMBL559618

SCHEMBL559618

SCHEMBL559618

CC(C)(CO)NC(=O)c1ccc2cnc(NC3CCCCC3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 10/20 0.49
▸ CCNE1 P24864 6/20 0.49
▸ MAPK1 P28482 5/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ CDK7 P50613 6/20 0.43
▸ CCNH P51946 6/20 0.43
▸ MNAT1 P51948 6/20 0.43
▸ CCNK O75909 4/20 0.43
▸ CCNA2 P20248 4/20 0.43
▸ CDK12 Q9NYV4 4/20 0.43
▸ CDK4 P11802 2/20 0.43
▸ CCND1 P24385 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ CCND2 P30279 1/20 0.43
▸ CCND3 P30281 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
SCHEMBL559182 0.99 CDK2 (0.50) CDK2CCNE1MAPK1ABL1CDK7
SCHEMBL559005 0.97 CDK2 (0.50) CDK2CCNE1MAPK1ABL1CDK7
SCHEMBL559799 0.91 CCNE1 (0.46) CDK2CCNE1MAPK1ABL1CDK7
SCHEMBL2259965 0.91 CCNE1 (0.46) CDK2CCNE1MAPK1ABL1CDK7
SCHEMBL558981 0.82 CDK2 (0.49) CDK2CCNE1MAPK1CDK7CCNH
SCHEMBL560024 0.82 NPC1 (0.46) MAPK1ABL1CDK4CCND1CCND2
SCHEMBL559106 0.82 MAPK1 (0.54) CDK2CCNE1MAPK1
SCHEMBL559349 0.81 CDK2 (0.50) CDK2CCNE1MAPK1CDK7CCNH
SCHEMBL559765 0.80 MAPK1 (0.55) CDK2CCNE1MAPK1
SCHEMBL558982 0.80 MAPK1 (0.53) CDK2CCNE1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 — — 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK2 125/4885CCNE1 523/4885MAPK1 1/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK2 125/4885CCNE1 523/4885MAPK1 1/4885

“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.