SCHEMBL4920525

SCHEMBL4920525

Cc1cc(C2CC[N]2)on1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.49
CHRNA4 P43681 3/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA7 P36544 1/20 0.49
CHI3L1 P36222 1/20 0.39
CHIT1 Q13231 1/20 0.39
CHI3L2 Q15782 1/20 0.39
CHIA Q9BZP6 1/20 0.39
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 1/20 0.37

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
SCHEMBL3854917 0.87 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3154169 0.81
SCHEMBL12650362 0.78 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL20320351 0.78 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL20320356 0.76 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL31227308 0.73 SMYD3 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL22629065 0.73 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL18255915 0.73 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL26126602 0.72 CHRNA4 (0.50) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL31227128 0.72 SMYD3 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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 4717/4885CHRNB4 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.