SCHEMBL4920115

SCHEMBL4920115

Cc1ncccc1-c1cc([C@@H]2CCN2)on1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
BRD4 O60885 2/20 0.34
ABL1 P00519 1/20 0.34
TDO2 P48775 1/20 0.33
RET P07949 1/20 0.33
ATAD2 Q6PL18 1/20 0.33

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
SCHEMBL4911791 1.00 CHRNB2 (0.39) CHRNB2CHRNA4HCRTR1HCRTR2BRD4
SCHEMBL3922331 0.91 CHRNB2 (0.50) CHRNB2CHRNA4
SCHEMBL3918221 0.91 CHRNB2 (0.50) CHRNB2CHRNA4
SCHEMBL4917066 0.81 IRAK4 (0.36) CHRNB2CHRNA4BRD4RET
SCHEMBL4918812 0.81 IRAK4 (0.36) CHRNB2CHRNA4BRD4RET
SCHEMBL4917420 0.80 HCRTR1 (0.35) HCRTR1HCRTR2BRD4ABL1TDO2
SCHEMBL4920078 0.80 CHRNB2 (0.34) CHRNB2CHRNA4RET
SCHEMBL4917368 0.80 CHRNB2 (0.34) CHRNB2CHRNA4RET
SCHEMBL4911781 0.79 CHRNB2 (0.38) CHRNB2CHRNA4RET
SCHEMBL4911776 0.79 CHRNB2 (0.38) CHRNB2CHRNA4RET

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 4588/4885CHRNA4 4717/4885HCRTR1 3753/4885

“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.