SCHEMBL6034201

SCHEMBL6034201

O=[N+]([O-])c1ccc(CCn2cncn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.57
KMT2A Q03164 1/20 0.57
KCNJ1 P48048 8/20 0.54
KCNH2 Q12809 7/20 0.54
HRH3 Q9Y5N1 1/20 0.51
TSHR P16473 1/20 0.47
MAOA P21397 1/20 0.46
POLB P06746 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL5655760 0.91 KCNJ1 (0.54) CYP19A1KMT2AKCNJ1KCNH2HRH3
SCHEMBL994055 0.84 CYP19A1 (0.57) CYP19A1KMT2APOLBPKM
SCHEMBL6647694 0.78 MAPT (0.50) CYP19A1KMT2APOLBPKM
SCHEMBL5656114 0.78 SMN1; SMN2 (0.63) KMT2ATSHRPKM
SCHEMBL5655128 0.78 POLB (0.63) CYP19A1KMT2APOLBPKM
Nitric Acid SCHEMBL6033169 0.76 PLAU (0.41) PKM
SCHEMBL4829103 0.76 CYP19A1 (0.57) CYP19A1KMT2AKCNJ1KCNH2HRH3
SCHEMBL10786317 0.76 CYP19A1 (0.51) CYP19A1
SCHEMBL7138301 0.75 CYP19A1 (0.67) CYP19A1KMT2ATSHR
Hydrochloric Acid SCHEMBL29006841 0.74 CYP19A1 (0.50) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187816-B1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LTD (GB) 2006-12-20 EP disclosed
US-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMTIED 2004-09-16 US disclosed
US-6579983-B1 Potent and selective inhibitors of receptor tyrosine kinases involved in angiogenesis, especially KDR kinase and/or FGFr kinase CELLTECH R&D LIMITED (GB) 2003-06-17 US disclosed
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives CELLTECH R&D LIMITED (GB) 2002-10-10 US disclosed
EP-1187816-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES Celltech R&D Limited (GB) 2002-03-20 EP disclosed
WO-2000078731-A1 5-CYANO-2-AMINOPYRIMIDINE DERIVATIVES CELLTECH R&D LIMITED (GB) 2000-12-28 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 (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-20040180914-A1 5-Cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CYP19A1 350/4885KMT2A 2638/4885KCNJ1 3062/4885
US-20020147339-A1 5-cyano-2-aminopyrimidine derivatives FLT1, FGFR1, KDR CYP19A1 371/4885KMT2A 2620/4885KCNJ1 3234/4885

“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.