SCHEMBL4923192

SCHEMBL4923192

c1csc(-c2cc([C@@H]3CCN3)on2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.33
CYP1A1 P04798 4/20 0.33
CYP1A2 P05177 4/20 0.33
CYP1B1 Q16678 4/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RET P07949 2/20 0.32
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
RAB9A P51151 1/20 0.31
SMPD3 Q9NY59 1/20 0.31

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
SCHEMBL4918639 1.00 IGF1R (0.33) IGF1RCYP1A1CYP1A2CYP1B1CHRNB2
SCHEMBL3851501 0.92 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL3851504 0.92 CHRNB2 (0.42) CHRNB2CHRNA4
SCHEMBL4918790 0.78 CYP1A1 (0.33) IGF1RCYP1A1CYP1A2CYP1B1HSP90AA1
SCHEMBL4911781 0.76 CHRNB2 (0.38) CHRNB2CHRNA4RETRAB9A
SCHEMBL4911776 0.76 CHRNB2 (0.38) CHRNB2CHRNA4RETRAB9A
SCHEMBL3852485 0.75 CYP1A1 (0.32) IGF1RCYP1A1CYP1A2CYP1B1HSP90AA1
SCHEMBL4915985 0.72 KDM4E (0.41) CYP1A2CHRNB2CHRNA4HSP90AA1RAB9A
SCHEMBL4920078 0.71 CHRNB2 (0.34) CYP1A2CHRNB2CHRNA4RET
SCHEMBL4917368 0.71 CHRNB2 (0.34) CYP1A2CHRNB2CHRNA4RET

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 IGF1R 1/4885CYP1A1 2459/4885CYP1A2 3623/4885

“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.