SCHEMBL5487133

SCHEMBL5487133

c1ccc(-c2nn(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.54
NPSR1 Q6W5P4 3/20 0.51
GAA P10253 1/20 0.51
PTGER1 P34995 1/20 0.51
HSD17B10 Q99714 2/20 0.50
CCNA2 P20248 1/20 0.49
CDK2 P24941 1/20 0.49
KMT2A Q03164 2/20 0.47
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
PTGS2 P35354 3/20 0.47
PTGS1 P23219 2/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
Formamide SCHEMBL16417161 0.90 PTGER1 (0.48) PDE5ANPSR1GAAPTGER1HSD17B10
SCHEMBL11888545 0.84 CYP11B2 (0.48) PDE5ANPSR1GAAPTGER1HSD17B10
SCHEMBL22206289 0.84 LMNA (0.47) PDE5ANPSR1PTGER1CCNA2CDK2
SCHEMBL5493910 0.84 PTGER1 (0.59) NPSR1PTGER1CCNA2CDK2KMT2A
SCHEMBL9876889 0.84 CCNE1 (0.46) PDE5ANPSR1GAAPTGER1HSD17B10
SCHEMBL11888546 0.83 PTGER1 (0.54) NPSR1GAAPTGER1HSD17B10KMT2A
SCHEMBL22214575 0.83 ALDH1A1 (0.45) PDE5ANPSR1PTGER1MAPTALDH1A1
SCHEMBL5491686 0.82 L3MBTL1 (0.49) PDE5ANPSR1GAACCNA2CDK2
SCHEMBL22214568 0.82 ALDH1A1 (0.44) PDE5ANPSR1PTGER1CCNA2CDK2
SCHEMBL22214570 0.82 ALDH1A1 (0.44) PDE5ANPSR1PTGER1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11678499-B2 Use of singlet-triplet gap hosts for increasing stability of blue phosphorescent emission UNIVERSAL DISPLAY CORPORATION (US) 2023-06-13 US disclosed
US-7276627-B2 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2007-10-02 US disclosed
US-20060224017-A1 One pot sequential reactions and novel products produced thereby IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2006-10-05 US disclosed
US-20040077019-A1 Tagging compounds and process for use in aida libraries GSTACH HUBERT (AT) 2004-04-22 US disclosed
US-6083969-A 2,3-DIARYLPYRAZOLES FUSED WITH CYCLOALKANES AND CYCLOALKENES, USED AS CYCLOOXYGENASE-2 (COX-2) INHIBITOR ORTHO-MCNEIL PHARACEUTICAL, INC. (US) 2000-07-04 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-20060224017-A1 One pot sequential reactions and novel products produced thereby PNMT, CYP1A1, TERT PDE5A 2316/4885NPSR1 1059/4885GAA 1927/4885

“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.