SCHEMBL2704302

SCHEMBL2704302

N=C(N)Cc1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.48
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
CYP19A1 P11511 4/20 0.40
CYP17A1 P05093 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HRH1 P35367 2/20 0.39
PLG P00747 1/20 0.38
CA1 P00915 1/20 0.38

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
Hydrochloric Acid SCHEMBL17984659 0.98 LOXL2 (0.46) LOXL2ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL7783575 0.77 LOXL2 (0.52) LOXL2ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL1178369 0.76 CA2 (0.58) LOXL2ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL21450873 0.76 ALDH1A1 (0.46) LOXL2ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL3441812 0.76 LOXL2 (0.48) LOXL2ALDH1A1CYP3A4CYP1A2CYP2D6
SCHEMBL16275249 0.75 NOS1 (0.48) LOXL2CYP3A4CYP2D6HTR3EHTR3B
SCHEMBL1238345 0.75 HTR3E (0.57) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL21169826 0.74 CYP1A2 (0.44) LOXL2ALDH1A1CYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL8686943 0.74 LOXL2 (0.46) LOXL2ALDH1A1CYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL2673007 0.74 CA2 (0.56) LOXL2ALDH1A1CYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450374-B9 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-23 EP disclosed
US-9260500-B2 Peptide and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-02-16 US disclosed
EP-2450374-B1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-09-30 EP disclosed
US-20120172293-A1 PEPTIDE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-07-05 US disclosed
EP-2450374-A1 PEPTIDE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-05-09 EP 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-20120172293-A1 PEPTIDE AND USE THEREOF GLP1R, GIPR, SCTR LOXL2 3293/4885ALDH1A1 3781/4885CYP3A4 4017/4885

“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.