SCHEMBL174355

SCHEMBL174355

Cn1ncc2c(O)nc(C(F)(F)c3ccc(F)cn3)nc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.42
BCDIN3D Q7Z5W3 10/20 0.38
ALDH1A2 O94788 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ALDH1A3 P47895 1/20 0.36
GAA P10253 1/20 0.34
PDE2A O00408 1/20 0.34
MAPT P10636 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL174339 0.85 HTR2C (0.42) HTR2CBCDIN3DALDH1A1PDE2AMAPT
SCHEMBL174746 0.84 HTR2C (0.44) HTR2CBCDIN3DGAAPDE2ATP53
SCHEMBL23579577 0.77 PDE2A (0.47) HTR2CBCDIN3DGAAPDE2A
SCHEMBL30033642 0.77 PDE2A (0.47) HTR2CBCDIN3DGAAPDE2A
SCHEMBL174860 0.75 PLK4 (0.56) HTR2C
SCHEMBL161445 0.74 KDM4E (0.33)
SCHEMBL161223 0.74 CCNE2 (0.36) ALDH1A1GAAMAPT
SCHEMBL163623 0.73 NR1H2 (0.35) ALDH1A1TP53
SCHEMBL161614 0.73 GRM2 (0.36) ALDH1A1GAAMAPTTP53
SCHEMBL158172 0.71 ADORA2A (0.41) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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 (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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 HTR2C 2439/4885BCDIN3D 1335/4885ALDH1A2 4113/4885

“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.