SCHEMBL5779983

SCHEMBL5779983

N=C(Nc1ccncc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.61
TYK2 P29597 1/20 0.61
TAAR1 Q96RJ0 1/20 0.55
HTT P42858 2/20 0.52
EPHX1 P07099 1/20 0.51
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
BCHE P06276 1/20 0.50
STAT3 P40763 1/20 0.50
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MDM2 Q00987 1/20 0.47
KCNK3 O14649 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PLOD2 O00469 1/20 0.46
PLOD3 O60568 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL393417 0.85 ALDH1A1 (0.48) EPHX1SMN1; SMN2KCNK3ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL9773792 0.83 ALDH1A1 (0.46) EPHX1SMN1; SMN2KCNK3ALDH1A1CYP3A4
SCHEMBL457388 0.83 ALDH1A1 (0.46) EPHX1SMN1; SMN2KCNK3ALDH1A1CYP3A4
SCHEMBL23410460 0.81 KMT2A (0.64) JAK2TYK2SMN1; SMN2KDM4EL3MBTL1
SCHEMBL5782175 0.81 RAB9A (0.50) POLBSMN1; SMN2ROCK2ROCK1KDM4E
SCHEMBL455628 0.79 NAMPT (0.56) SMN1; SMN2ROCK2ROCK1L3MBTL1KCNK3
SCHEMBL5783437 0.79 NAMPT (0.65) HTTSMN1; SMN2KDM4EL3MBTL1KCNK3
SCHEMBL14223760 0.78 GAA (0.50) HTTSMN1; SMN2BCHEKDM4EL3MBTL1
SCHEMBL19937963 0.78 GAA (0.53) HTTPOLBKDM4EL3MBTL1ALDH1A1
SCHEMBL4861779 0.77 CA1 (0.53) POLBSMN1; SMN2KDM4EL3MBTL1ALDH1A1

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-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 JAK2 68/4885TYK2 3827/4885TAAR1 4603/4885

“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.