SCHEMBL9912477

SCHEMBL9912477

COc1cccc(Cc2nn(C)c3c2C[C@H](N)C(=O)N3O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 16/20 1.00
KYAT1 Q16773 1/20 0.44
KYAT3 Q6YP21 1/20 0.44
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
LTB4R Q15722 1/20 0.41
IDH1 O75874 2/20 0.40

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
SCHEMBL9912473 0.88 AADAT (1.00) AADATKYAT1KYAT3ADRA1AHRH1
SCHEMBL15493549 0.73 AADAT (0.77) AADAT
SCHEMBL9912495 0.71 AADAT (1.00) AADATKYAT1KYAT3
SCHEMBL6763734 0.71 AADAT (0.81) AADATKYAT1KYAT3
SCHEMBL9912551 0.68 AADAT (1.00) AADAT
SCHEMBL9912554 0.67 AADAT (1.00) AADAT
SCHEMBL9912456 0.67 AADAT (0.62) AADAT
SCHEMBL16348706 0.66 AADAT (0.64) AADAT
SCHEMBL10960533 0.66 AADAT (0.48) AADATADRA1AHRH1HRH3LTB4R
SCHEMBL6763263 0.63 AADAT (0.78) AADATKYAT1KYAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 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-8420659-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2013-04-16 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-20120301486-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Riger Pharmaceuticals, 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 (3 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 2414/4885KYAT1 64/4885KYAT3 154/4885
US-20120302599-A1 KAT ll INHIBITORS KAT2A, KAT7, KAT5 AADAT 2414/4885KYAT1 64/4885KYAT3 154/4885
US-20120301486-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 AADAT 1599/4885KYAT1 891/4885KYAT3 144/4885

“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.