Sugi Predict

Sugi Predict / Compounds / SCHEMBL343214

SCHEMBL343214

SCHEMBL343214

CN1CCN(c2ccc(Nc3ncc4cnn(C5CCNCC5)c4n3)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 14/20 0.59
▸ CCND1 P24385 9/20 0.59
▸ CCND2 P30279 9/20 0.59
▸ CCND3 P30281 9/20 0.59
▸ AURKA O14965 4/20 0.59
▸ CDK1 P06493 3/20 0.59
▸ SRC P12931 2/20 0.59
▸ KDR P35968 2/20 0.59
▸ INSR P06213 1/20 0.59
▸ PDGFRB P09619 1/20 0.59
▸ PDGFRA P16234 1/20 0.59
▸ FLT1 P17948 1/20 0.59
▸ FLT4 P35916 1/20 0.59
▸ CDK7 P50613 1/20 0.59
▸ NTRK2 Q16620 1/20 0.59
▸ CCNE2 O96020 5/20 0.57
▸ CCNE1 P24864 5/20 0.57
▸ CDK2 P24941 5/20 0.57
▸ CCNA2 P20248 4/20 0.57
▸ CCNA1 P78396 4/20 0.57

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
SCHEMBL344178 0.91 CDK4 (0.71) CDK4CCND1CCND2CCND3AURKA
SCHEMBL344014 0.90 CDK4 (0.73) CDK4CCND1CCND2CCND3AURKA
SCHEMBL1355087 0.90 CDK4 (0.73) CDK4CCND1CCND2CCND3AURKA
SCHEMBL12639348 0.89 EGFR (0.61) CDK4CCND1CCND2CCND3AURKA
SCHEMBL344501 0.85 CDK4 (0.69) CDK4CCND1CCND2CCND3CCNE2
SCHEMBL1356055 0.85 CDK4 (0.69) CDK4CCND1CCND2CCND3CCNE2
Hydrochloric Acid SCHEMBL27156660 0.82 BTK (0.49) AURKACDK1CCNB1
Hydrochloric Acid SCHEMBL29819991 0.82 BTK (0.49) AURKACDK1CCNB1
SCHEMBL341737 0.82 EGFR (0.65) CDK4CCND1CCND2CCND3AURKA
SCHEMBL1355312 0.81 CDK4 (0.67) CDK4CCND1CCND2CCND3AURKA

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-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 — — US claimed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — US claimed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 — — US disclosed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 — — US disclosed
US-8637529-B2 Pyrazolo[3,4-d]pyrimidine compounds AbbYie Inc. (US) 2014-01-28 — — US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — US disclosed
US-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2012-01-19 — — US disclosed
WO-2011156698-A2 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2011-12-15 — — WO 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-20120015963-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUNDS CHUK, MAP2K2, CDK3 CDK4 71/4885CCND1 272/4885CCND2 308/4885

“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.