SCHEMBL4293542

SCHEMBL4293542

CCCCCOc1cc2cnc(C(N)=O)nc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.43
▸ XDH P47989 4/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ PLA2G2A P14555 1/20 0.34
▸ SMPD1 P17405 4/20 0.34
▸ CYP1A2 P05177 1/20 0.33

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
SCHEMBL5040910 0.71 LMNA (0.46) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL30642609 0.67 GPR84 (0.37) GPR84XDH
SCHEMBL26028967 0.67 MAPT (0.47) LMNAMAPTKMT2AHDAC6CYP1A2
SCHEMBL30440659 0.63 RET (0.42) XDHLMNA
SCHEMBL14028771 0.62 RARB (0.54) GPR84MEN1LMNACHRM2CYP3A4
SCHEMBL13447547 0.62 NFKB1 (0.51) MEN1LMNACYP3A4MAPTKMT2A
SCHEMBL28652992 0.60 MAPT (0.41) XDHMEN1NR1I2LMNACHRM2
SCHEMBL28642613 0.60 MAPT (0.41) XDHMEN1NR1I2LMNACHRM2
SCHEMBL28647312 0.59 MAPT (0.43) XDHMEN1NR1I2LMNACHRM2
SCHEMBL5086980 0.59 PLA2G2A (0.73) MEN1NR1I2LMNACHRM2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 — — US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 — — US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 — — EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 — — EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 — — US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 — — EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 — — 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 (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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ GPR84 2679/4885XDH 450/4885MEN1 4225/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ GPR84 2679/4885XDH 450/4885MEN1 4225/4885

“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.

Send feedback