SCHEMBL4914002

SCHEMBL4914002

CCc1nccnc1-c1cc([C@@H]2CCN2)on1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.32
CHRNA5 P30532 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
RET P07949 4/20 0.32
CHRNA4 P43681 1/20 0.31
CYP1A2 P05177 1/20 0.30
HCK P08631 1/20 0.30
FGR P09769 1/20 0.30
RPS6KB1 P23443 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
MAP2K2 P36507 1/20 0.30
MAP2K1 Q02750 1/20 0.30
RPS6KA1 Q15418 1/20 0.30

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
SCHEMBL4909657 1.00 CHRNB2 (0.32) CHRNB2CHRNA5CHRNB4CHRNA3RET
SCHEMBL3920096 0.91 CHRNB2 (0.39) CHRNB2CHRNA5CHRNB4CHRNA3RET
SCHEMBL3920102 0.91 CHRNB2 (0.39) CHRNB2CHRNA5CHRNB4CHRNA3RET
SCHEMBL4913152 0.85 CHRNB2 (0.33) CHRNB2CHRNA5CHRNB4CHRNA3RET
SCHEMBL4916841 0.85 CHRNB2 (0.33) CHRNB2CHRNA5CHRNB4CHRNA3RET
SCHEMBL4917368 0.82 CHRNB2 (0.34) CHRNB2CHRNA5CHRNB4CHRNA3RET
SCHEMBL4920078 0.82 CHRNB2 (0.34) CHRNB2CHRNA5CHRNB4CHRNA3RET
SCHEMBL4914568 0.82 CHRNB4 (0.32) CHRNB2CHRNA5CHRNB4CHRNA3RET
SCHEMBL4920057 0.82 CHRNB4 (0.32) CHRNB2CHRNA5CHRNB4CHRNA3RET
SCHEMBL4917757 0.80 RET (0.34) RETCYP1A2HCKFGRRPS6KB1

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-20080161278-A1 2-Azetidinyl-4-(1H-Pyrazol-3-Ylamino) Pyrimidines as Inhibitors of Insulin-Like Growth Factor-1 Receptor Activity ASTRAZENECA AB (SE) 2008-07-03 US disclosed
EP-1863797-A1 2-AZETIDINYL-4-(lH-PYRAZOL-3-YLAMINO)PYRIMIDINES AS INHIBITORS OF INSULIN-LIKE GROWTH FACTOR-I RECEPTOR ACTIVITY AstraZeneca AB (SE) 2007-12-12 EP disclosed
WO-2006100461-A1 2-AZETIDINYL-4-(lH-PYRAZOL-3-YLAMINO)PYRIMIDINES AS INHIBITORS OF INSULIN-LIKE GROWTH FACTOR-I RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2006-09-28 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 (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-20080161278-A1 2-Azetidinyl-4-(1H-Pyrazol-3-Ylamino) Pyrimidines as Inhibitors of Insulin-Like Growth Factor-1 Receptor Activity IGF1R, IGFBP1, IGFBP2 CHRNB2 4588/4885CHRNA5 4478/4885CHRNB4 4712/4885

“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.