SCHEMBL563440

SCHEMBL563440

c1ccc(-n2c(-c3ncc[nH]3)cc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.45
ADK P55263 1/20 0.45
NISCH Q9Y2I1 1/20 0.45
ADRA2A P08913 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
CYP19A1 P11511 1/20 0.40
APP P05067 1/20 0.38
KCNK13 Q9HB14 1/20 0.38
HAO1 Q9UJM8 1/20 0.37
AOC3 Q16853 2/20 0.36
KCNH2 Q12809 1/20 0.36
ESR1 P03372 1/20 0.36
NTRK1 P04629 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
CSNK1A1 P48729 1/20 0.33
TYRO3 Q06418 1/20 0.33

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
SCHEMBL30543445 0.79 KMT2A (0.51) MTORADKNISCHADRA2AALDH1A1
SCHEMBL4247284 0.79 KMT2A (0.51) MTORADKNISCHADRA2AALDH1A1
SCHEMBL4244505 0.76 ESR1 (0.63) MTORADKNISCHADRA2AALDH1A1
SCHEMBL30035312 0.74 CA12 (0.53) MTORADKNISCHADRA2AALDH1A1
SCHEMBL11947419 0.74 ALDH1A1 (0.51) ALDH1A1TSHRCYP19A1APPHAO1
SCHEMBL12803619 0.74 TSHR (0.45) ALDH1A1TSHRCYP19A1APPHAO1
SCHEMBL563439 0.73 KMT2A (0.45) MTORADKNISCHADRA2AALDH1A1
SCHEMBL1878805 0.72 HAO1 (0.58) ALDH1A1TSHRCYP19A1APPHAO1
SCHEMBL22171609 0.72 ALDH1A1 (0.53) ALDH1A1TSHRCYP19A1APPHAO1
SCHEMBL12854014 0.71 ALDH1A1 (0.51) ALDH1A1TSHRCYP19A1APPHAO1

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-20120035198-A1 Antiviral Compounds and Methods of Using Thereof AMAN MOHAMMAD JAVAD (US) 2012-02-09 US disclosed
US-7999001-B2 Antiviral compounds and methods of using thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2011-08-16 US disclosed
US-20090012107-A1 Antiviral Compounds and Methods of Using Thereof U.S. ARMY MEDICAL RESEARCH AND MATERIEL COMMAND 2009-01-08 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 (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-20090012107-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L MTOR 898/4885ADK 2167/4885NISCH 91/4885
US-20120035198-A1 Antiviral Compounds and Methods of Using Thereof ZC3HAV1, MAVS, ZC3HAV1L MTOR 898/4885ADK 2167/4885NISCH 91/4885

“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.