SCHEMBL14764141

SCHEMBL14764141

NCC(O)Cc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
LOXL2 Q9Y4K0 2/20 0.50
HRH1 P35367 2/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP17A1 P05093 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
DPP4 P27487 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
HTR3A P46098 1/20 0.34
TSHR P16473 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
Oxalic Acid SCHEMBL27967571 0.91 CYP3A4 (0.44) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL8510037 0.78 CYP3A4 (0.52) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL5678777 0.77 EPHX1 (0.52) CYP1A2LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL1677843 0.77 LOXL2 (0.54) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL7472546 0.77 EPHX1 (0.52) CYP1A2LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL194646 0.77 EPHX1 (0.52) CYP1A2LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL28196643 0.77 CYP3A4 (0.59) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2
SCHEMBL27465388 0.76 LOXL2 (0.48) CYP3A4CYP1A2CYP2C19LOXL2ALDH1A1
Hydrochloric Acid SCHEMBL7814124 0.76 SRR (0.50) CYP1A2LOXL2SLC6A2SLC6A4SLC6A3
SCHEMBL5007558 0.76 LOXL2 (0.52) CYP3A4CYP1A2CYP2C9CYP2C19LOXL2

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-2758401-B1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2017-05-31 EP disclosed
US-9499547-B2 Amino-substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-11-22 US disclosed
US-20140296231-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 US disclosed
EP-2758401-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2014-07-30 EP disclosed
WO-2013034570-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 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-20140296231-A1 AMINO-SUBSTITUTED IMIDAZOPYRIDAZINES VEGFA, CCND2, CCND1 CYP3A4 313/4885CYP1A2 198/4885CYP2C9 868/4885

“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.