SCHEMBL9912495

SCHEMBL9912495

COc1cccc(Cn2cc3c(n2)N(O)C(=O)[C@@H](N)C3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 18/20 1.00
KYAT3 Q6YP21 2/20 0.50
KYAT1 Q16773 1/20 0.50
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 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
SCHEMBL9912474 0.87 AADAT (1.00) AADATKYAT3KYAT1
SCHEMBL9912514 0.84 AADAT (1.00) AADAT
SCHEMBL9912499 0.82 AADAT (1.00) AADATKYAT3KYAT1
SCHEMBL9912496 0.79 AADAT (1.00) AADATKYAT3
SCHEMBL14053398 0.76 AADAT (1.00) AADAT
SCHEMBL15493570 0.76 AADAT (1.00) AADAT
SCHEMBL9912501 0.74 AADAT (1.00) AADATKYAT3KYAT1
SCHEMBL6763330 0.72 AADAT (0.56) AADATKYAT3KYAT1
SCHEMBL6763734 0.71 AADAT (0.81) AADATKYAT3KYAT1MEN1KMT2A
SCHEMBL9912477 0.71 AADAT (1.00) AADATKYAT3KYAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598200-B2 KAT II inhibitors PFIZER INC. (US) 2013-12-03 US claimed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
EP-2646443-B1 KAT II INHIBITORS PFIZER (US) 2014-09-24 EP disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-20140057938-A1 KAT ll INHIBITORS PFIZER INC. (US) 2014-02-27 US disclosed
US-8598200-B2 KAT II inhibitors PFIZER INC. (US) 2013-12-03 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
US-20120302599-A1 KAT ll INHIBITORS PFIZER INC 2012-11-29 US disclosed
WO-2012073143-A1 KAT II INHIBITORS PFIZER INC. (US) 2012-06-07 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-20140057938-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 AADAT 2414/4885KYAT3 154/4885KYAT1 64/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 AADAT 2414/4885KYAT3 154/4885KYAT1 64/4885

“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.