Sugi Predict

Sugi Predict / Compounds / SCHEMBL559534

SCHEMBL559534

SCHEMBL559534

O=C(NCc1nc2cc(F)ccc2[nH]1)c1ccc2cnc(N[C@H]3CC[C@H](O)CC3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 6/20 0.44
▸ CCNA2 P20248 4/20 0.44
▸ CDK7 P50613 4/20 0.44
▸ CCNH P51946 4/20 0.44
▸ MNAT1 P51948 4/20 0.44
▸ CCNK O75909 3/20 0.44
▸ CDK12 Q9NYV4 3/20 0.44
▸ MAPK1 P28482 7/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ RIPK2 O43353 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ AXL P30530 1/20 0.40
▸ TYRO3 Q06418 1/20 0.40
▸ MERTK Q12866 1/20 0.40
▸ MAPK8 P45983 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL2259099 1.00 CDK2 (0.44) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL2259321 0.85 MERTK (0.54) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL559012 0.85 MERTK (0.54) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL12361573 0.83 MCHR1 (0.46) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL559210 0.79 MAPK8 (0.54) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL559211 0.79 MAPK8 (0.54) CDK2CCNA2CDK7CCNHMNAT1
SCHEMBL2255573 0.79 MAPK8 (0.59) CDK2MAPK1CCNE1TYRO3MERTK
SCHEMBL558644 0.79 MAPK8 (0.59) CDK2MAPK1CCNE1TYRO3MERTK
SCHEMBL559975 0.78 MAPK1 (0.46) CDK2MAPK1CCNE1MAPK8
SCHEMBL2258872 0.78 CCNE1 (0.47) CDK2CDK7CCNHMNAT1MAPK1

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 125/4885CCNA2 629/4885CDK7 660/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 CDK2 125/4885CCNA2 629/4885CDK7 660/4885

“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.