Sugi Predict

Sugi Predict / Compounds / SCHEMBL2397570

SCHEMBL2397570

SCHEMBL2397570

O=C(O)C(=O)c1cn2c3c(cccc13)C(=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 11/20 0.48
▸ SERPINE1 P05121 1/20 0.37
▸ LMNA P02545 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTR3A P46098 1/20 0.32

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
SCHEMBL8775577 0.83 PARP1 (0.45) PARP1LMNAKDM4EALDH1A1POLB
SCHEMBL27989542 0.81 MTNR1A (0.40) PARP1LMNARAB9ATDP1
SCHEMBL11791172 0.71 CYP3A4 (0.43) PARP1ALDH1A1TDP1
SCHEMBL9950532 0.70 PARP1 (0.38) PARP1SERPINE1
SCHEMBL9959202 0.67 PARP1 (0.40) PARP1SERPINE1POLB
SCHEMBL2344849 0.66 PARP1 (0.44) PARP1RAB9AKDM4EALDH1A1
SCHEMBL5434419 0.66 MCL1 (0.41) PARP1LMNAKDM4E
SCHEMBL27473399 0.65 PARP1 (0.46) PARP1HTR3A
SCHEMBL7161587 0.65 PARP1 (1.00) PARP1
Ethoxycarbonyl Group SCHEMBL27473827 0.64 PARP1 (0.49) PARP1RAB9AKDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2011-12-01 — — US disclosed
US-8022065-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS ELI LILLY AND COMPANY 2009-04-23 — — US disclosed
US-7491716-B2 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY (US) 2009-02-17 — — US disclosed
EP-1483265-B1 PURINE DERIVATIVES AS KINASE INHIBITORS LILLY CO ELI (US) 2006-11-22 — — EP disclosed
US-20050090483-A1 Purine derivatives as kinase inhibitors ELI LILLY AND COMPANY 2005-04-28 — — 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 (3 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-20050090483-A1 Purine derivatives as kinase inhibitors PNP, ADK, NME2 PARP1 509/4885SERPINE1 2343/4885LMNA 3305/4885
US-20110294792-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PARP1 509/4885SERPINE1 2343/4885LMNA 3305/4885
US-20090105229-A1 PURINE DERIVATIVES AS KINASE INHIBITORS PNP, ADK, NME2 PARP1 509/4885SERPINE1 2343/4885LMNA 3305/4885

“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.