SCHEMBL13380947

SCHEMBL13380947

N=C(N/N=C\c1ccncc1)N/N=C\c1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
MAPT P10636 2/20 0.49
ROCK2 O75116 1/20 0.49
GRK2 P25098 1/20 0.49
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL19449709 1.00 CTH (0.57) CTHKMT2AMEN1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL17560849 0.98 CTH (0.56) CTHKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL14058850 0.86 CTH (0.49) CTHKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL16438198 0.86 CTH (0.49) CTHKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL4100496 0.85 CTH (0.54) CTHKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL4100494 0.85 CTH (0.54) CTHKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL19449698 0.81 CTH (0.54) CTHKMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL21937369 0.79 MEN1 (0.64) KMT2AMEN1L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL7594903 0.79 MEN1 (0.64) KMT2AMEN1L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL19449623 0.79 MEN1 (0.64) KMT2AMEN1L3MBTL1SMN1; SMN2CYP1A2

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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 US disclosed
US-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2010-04-01 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-20100081661-A1 HEME OXYGENASE INHIBITORS, SCREENING METHODS FOR HEME OXYGENASE INHIBITORS AND METHODS OF USE OF HEME OXYGENASE INHIBITORS FOR ANTIMICROBIAL THERAPY HMOX1, HMOX2, PPOX CTH 305/4885KMT2A 3310/4885MEN1 4396/4885

“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.