SCHEMBL13058006

SCHEMBL13058006

Nc1nc2cccc(C=O)c2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MASP2 O00187 1/20 0.44
▸ NUDT1 P36639 1/20 0.44
▸ AOC3 Q16853 1/20 0.44
▸ QTRT1 Q9BXR0 1/20 0.43
▸ TYMS P04818 11/20 0.41
▸ TDP1 Q9NUW8 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PLAU P00749 1/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ HTR3D Q70Z44 1/20 0.36
▸ HTR3C Q8WXA8 1/20 0.36
▸ ABL1 P00519 1/20 0.36

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
SCHEMBL14001322 0.79 PARP1 (0.45) MEN1KMT2AALDH1A1TYMSTDP1
Hydrochloric Acid SCHEMBL28062606 0.77 PARP1 (0.44) MEN1KMT2AALDH1A1TYMSTDP1
SCHEMBL3287768 0.75 ALDH1A1 (0.52) MEN1KMT2AALDH1A1MASP2NUDT1
Hydrochloric Acid SCHEMBL28062539 0.73 TNKS (0.49) MEN1KMT2AALDH1A1
SCHEMBL2759979 0.72 MASP2 (0.39) MEN1KMT2AALDH1A1MASP2NUDT1
SCHEMBL18340923 0.72 MASP2 (0.48) MEN1KMT2AALDH1A1MASP2NUDT1
SCHEMBL5924246 0.72 TYMS (0.51) MEN1KMT2AALDH1A1MASP2NUDT1
SCHEMBL21708401 0.72 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MASP2NUDT1
SCHEMBL31122397 0.72 NUDT1 (0.48) MEN1KMT2AALDH1A1MASP2NUDT1
SCHEMBL727229 0.72 ALDH1A1 (0.48) MEN1KMT2AALDH1A1MASP2NUDT1

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-8901141-B2 Tricyclic compounds having corticotropin-releasing factor antagonistic activity and pharmaceutical compositions containing them TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2014-12-02 — — US disclosed
US-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-25 — — 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-20100298287-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CRH, CRHR1, CRHR2 MEN1 985/4885KMT2A 2136/4885ALDH1A1 4352/4885

“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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