Sugi Predict

Sugi Predict / Compounds / SCHEMBL2238401

SCHEMBL2238401

SCHEMBL2238401

CC(Cc1cccc(CO)c1)Nc1cc(-c2cccnc2)nc(-c2ccccn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.41
▸ CYP1A2 P05177 5/20 0.40
▸ FYN P06241 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSB P07858 2/20 0.39
▸ CTSS P25774 2/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CYP3A4 P08684 5/20 0.39
▸ IDE P14735 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ CYP2D6 P10635 4/20 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
SCHEMBL4775017 0.81 CYP2A6 (0.44) CYP2A6CYP1A2CYP3A4KMT2ACYP2C9
SCHEMBL4773513 0.81 CYP2A6 (0.44) CYP2A6CYP1A2CYP3A4KMT2ACYP2C9
SCHEMBL4773536 0.81 CYP2A6 (0.44) CYP2A6CYP1A2CYP3A4KMT2ACYP2C9
SCHEMBL4774839 0.78 DYRK1A (0.51) CYP2A6CYP1A2FYNCYP3A4CYP2C9
SCHEMBL4775038 0.77 CDK4 (0.47) CYP1A2CYP3A4KMT2ACYP2C9CYP2D6
SCHEMBL3962124 0.76 CYP2A6 (0.46) CYP2A6CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL4766379 0.76 CYP2A6 (0.46) CYP2A6CYP1A2CYP3A4IDEKMT2A
SCHEMBL4766345 0.76 CYP2A6 (0.46) CYP2A6CYP1A2CYP3A4IDEKMT2A
SCHEMBL3962923 0.76 CYP2A6 (0.43) CYP2A6CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL2239834 0.76 SPR (0.43) CYP1A2CTSLCTSBCTSSCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 — — EP claimed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 — — US claimed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 — — US claimed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 — — US disclosed
US-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors NOVARTIS AG (CH) 2009-08-20 — — US disclosed
EP-2044056-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS Novartis Ag (CH) 2009-04-08 — — EP disclosed
WO-2008006583-A1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2008-01-17 — — WO disclosed
EP-1878733-A1 Pyrimidine derivatives as ALK-5 inhibitors Novartis AG (CH) 2008-01-16 — — EP 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-20090209539-A1 Pyrimidine derivatives as alk-5 Inhibitors ALK, ACVR1, MUSK CYP2A6 1225/4885CYP1A2 929/4885FYN 970/4885

“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.