Sugi Predict

Sugi Predict / Compounds / SCHEMBL12337651

SCHEMBL12337651

SCHEMBL12337651

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc(-c2[nH]c(-c3ccccc3)cc2Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 7/20 0.37
▸ JAK2 O60674 3/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CCNA1 P78396 2/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CCNB2 O95067 1/20 0.37
▸ CCNE2 O96020 1/20 0.37
▸ PRKCB P05771 1/20 0.37
▸ CDK1 P06493 1/20 0.37
▸ CCNB1 P14635 1/20 0.37
▸ CCNE1 P24864 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ TAOK1 Q7L7X3 1/20 0.37
▸ CCNB3 Q8WWL7 1/20 0.37
▸ BRAF P15056 2/20 0.36
▸ KIT P10721 1/20 0.36
▸ KDM4A O75164 1/20 0.34

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
SCHEMBL12337650 0.83 KDM4E (0.38) CDC7JAK2CCNA2CDK2CCNA1
SCHEMBL12314003 0.80 CDC7 (0.62) CDC7JAK2CCNA2CDK2CCNA1
SCHEMBL12314005 0.80 CDC7 (0.62) CDC7JAK2CCNA2CDK2CCNA1
SCHEMBL13977796 0.71 BRAF (0.56) CDC7JAK2CCNA2CDK2CCNA1
SCHEMBL16806443 0.71 ATR (0.41) LMNAKMT2ASYKAAK1
SCHEMBL30226544 0.71 ATR (0.41) LMNAKMT2ASYKAAK1
SCHEMBL4516346 0.69 SYK (0.36) IKBKBKDM4EMEN1ALDH1A1HPGD
SCHEMBL13992670 0.67 KDM4E (0.44) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL1881782 0.67 SSTR4 (0.37) MEN1KMT2ASYKAAK1
SCHEMBL31396449 0.66 PIK3CA (0.45) CCNA2CDK2CCNA1MEN1ALDH1A1

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-20120295906-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-11-22 — — US disclosed
US-8263604-B2 Pyridyl- and pyrimidinyl-substituted pyrrole-, thiophene- and furane-derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-09-11 — — US disclosed
US-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-04-16 — — 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-20090099221-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 CDC7 294/4885JAK2 18/4885CCNA2 141/4885
US-20120295906-A1 PYRIDYL-AND PYRIMIDINYL-SUBSTITUTED PYRROLE-, THIOPHENE-AND FURANE-DERIVATIVES AS KINASE INHIBITORS CDK2, CDK1, CDK5 CDC7 294/4885JAK2 18/4885CCNA2 143/4885

“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.