SCHEMBL4904135

SCHEMBL4904135

N=C(NN)c1cnccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MC4R P32245 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ MC3R P41968 1/20 0.52
▸ KDM4E B2RXH2 4/20 0.48
▸ NAPRT Q6XQN6 1/20 0.48
▸ HCAR2 Q8TDS4 1/20 0.48
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ PABPC1 P11940 1/20 0.37

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
SCHEMBL29806269 0.83 KDM4E (0.48) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL640866 0.83 KDM4E (0.48) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL12745729 0.78 KDM4E (0.44) BAZ2BADORA3TSHRMC4RADRA1A
SCHEMBL1442775 0.77 — —
Pyrazine Carboxylic Acid Hydrazide SCHEMBL107341 0.77 ADORA3 (0.61) ADORA3TSHRMC4RADRA1AMC3R
Hydrochloric Acid SCHEMBL3134310 0.76 BAZ2B (0.59) BAZ2BADORA3TSHRMC4RADRA1A
Hydrochloric Acid SCHEMBL7668906 0.76 BAZ2B (0.59) BAZ2BADORA3TSHRMC4RADRA1A
Pyrazine Carboxylic Acid Hydrazide SCHEMBL18038330 0.75 ADORA3 (0.59) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL14903392 0.73 — —
SCHEMBL12612179 0.73 ADORA3 (0.46) ADORA3TSHRMC4RADRA1AMC3R

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-20080096894-A1 Anti-Bacterial Compounds ASTON UNIVERSITY (GB) 2008-04-24 — — US disclosed
EP-1845779-A1 ANTI-BACTERIAL COMPOUNDS Aston University (GB) 2007-10-24 — — EP disclosed
WO-2006075159-A1 ANTI-BACTERIAL COMPOUNDS ASTON UNIVERSITY (GB) 2006-07-20 — — WO disclosed
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2005-04-07 — — US disclosed
WO-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 — — 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-20080096894-A1 Anti-Bacterial Compounds MRPL21, PGLS, FOSB BAZ2B 3639/4885ADORA3 4824/4885TSHR 4225/4885
US-20050075375-A1 Heterocyclic compounds for treating hepatitis C virus HAVCR2, HCCS, LIPC BAZ2B 1262/4885ADORA3 1131/4885TSHR 4398/4885

“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.

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