SCHEMBL4884772

SCHEMBL4884772

O=C(O)c1cc2cnc[nH]c-2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALOX15 P16050 1/20 0.39
HIF1A Q16665 1/20 0.39
ECE1 P42892 1/20 0.39
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GABRA1 P14867 1/20 0.38
NFKB1 P19838 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRR2 P28476 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
KDM4E B2RXH2 3/20 0.37
MAPT P10636 1/20 0.37
PMP22 Q01453 1/20 0.37
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCL1 Q07820 2/20 0.36
KMO O15229 4/20 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
SCHEMBL14311953 0.84 LMNA (0.40) TSHRCYP3A4ALDH1A1GABRA1NFKB1
SCHEMBL7575286 0.81 ALDH1A1 (0.42) ALOX15CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL2023930 0.80 PKN1 (0.35) TSHRECE1CYP3A4ALDH1A1GABRA1
SCHEMBL1759020 0.71 MCL1 (0.43) TSHRALOX15HIF1AALDH1A1KDM4E
SCHEMBL6509907 0.69 ALOX15 (0.67) TSHRALOX15HIF1AALDH1A1KDM4E
SCHEMBL8814290 0.67 KMO (0.50) CYP3A4ALDH1A1KDM4EKMOHCAR2
SCHEMBL6813952 0.67 CYP3A4 (0.42) TSHRALOX15HIF1AECE1CYP3A4
SCHEMBL15848507 0.66 MCL1 (0.41) TSHRALOX15HIF1AALDH1A1MAPT
SCHEMBL745730 0.64 IDO1 (0.41) CYP3A4ALDH1A1MAPTSMN1; SMN2
4-Imidazolecarboxylic Acid SCHEMBL317725 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 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 (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-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors DPYD, IL1B, IL6 TSHR 4275/4885ALOX15 742/4885HIF1A 1305/4885

“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.