SCHEMBL10000743

SCHEMBL10000743

Cc1cc(-c2nnn[nH]2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
BACE1 P56817 1/20 0.46
MAPT P10636 5/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MIF P14174 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AHR P35869 1/20 0.42
KDM4E B2RXH2 5/20 0.41
GAA P10253 3/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
HCRTR1 O43613 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 1/20 0.41
ADRB1 P08588 1/20 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
SCHEMBL18320677 0.78 KDM4E (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1TDP1
SCHEMBL1088580 0.78 CYP1A2 (0.69) CYP1A2BACE1MAPTALDH1A1SMN1; SMN2
SCHEMBL18320581 0.76 MEN1 (0.57) MAPTALDH1A1KMT2AMEN1THRB
Iodide SCHEMBL4544205 0.75 CYP1A2 (0.64) CYP1A2BACE1MAPTALDH1A1SMN1; SMN2
Bromide SCHEMBL4396731 0.75 CYP1A2 (0.64) CYP1A2BACE1MAPTALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL4384053 0.75 CYP1A2 (0.64) CYP1A2BACE1MAPTALDH1A1SMN1; SMN2
SCHEMBL670646 0.73 CYP1A2 (0.62) CYP1A2BACE1MAPTALDH1A1SMN1; SMN2
SCHEMBL951744 0.73 MAPT (0.65) CYP1A2BACE1MAPTALDH1A1SMN1; SMN2
SCHEMBL30440137 0.72 ALDH1A1 (0.53) CYP1A2BACE1MAPTALDH1A1SMN1; SMN2
SCHEMBL8498137 0.72 ALDH1A1 (0.53) CYP1A2BACE1MAPTALDH1A1SMN1; SMN2

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-8759521-B2 Panchromatic photosensitizers and dye-sensitized solar cell using the same NATIONAL TSING HUA UNIVERSITY (TW) 2014-06-24 US disclosed
US-20120111410-A1 PANCHROMATIC PHOTOSENSITIZERS AND DYE-SENSITIZED SOLAR CELL USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2012-05-10 US disclosed
US-20100258175-A1 PANCHROMATIC PHOTOSENSITIZERS AND DYE-SENSITIZED SOLAR CELL USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2010-10-14 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-20120111410-A1 PANCHROMATIC PHOTOSENSITIZERS AND DYE-SENSITIZED SOLAR CELL USING THE SAME MLX, PRXL2A, MSL1 CYP1A2 3093/4885BACE1 3878/4885MAPT 4128/4885
US-20100258175-A1 PANCHROMATIC PHOTOSENSITIZERS AND DYE-SENSITIZED SOLAR CELL USING THE SAME MLX, PRXL2A, MSL1 CYP1A2 3126/4885BACE1 4014/4885MAPT 4020/4885

“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.