SCHEMBL4919484

SCHEMBL4919484

c1cnc(-c2cc(C3CC[N]3)on2)nc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
S1PR3 Q99500 1/20 0.34
RET P07949 6/20 0.33
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SMYD3 Q9H7B4 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
SCHEMBL3851051 0.89 NPC1 (0.31) NPC1RAB9AS1PR3ALDH1A1TP53
SCHEMBL11849077 0.86 NPC1 (0.42) NPC1RAB9AS1PR3RETSMYD3
SCHEMBL4401708 0.83 KDM4E (0.42) NPC1RAB9AS1PR3ALDH1A1TP53
SCHEMBL4917420 0.78 HCRTR1 (0.35) NPC1RAB9ARETDRD2DRD4
SCHEMBL4919068 0.76 NISCH (0.35) NPC1RAB9ARETALDH1A1
SCHEMBL4911781 0.75 CHRNB2 (0.38) NPC1RAB9AS1PR3RETDRD2
SCHEMBL4911776 0.75 CHRNB2 (0.38) NPC1RAB9AS1PR3RETDRD2
SCHEMBL4912257 0.75 RET (0.36) NPC1RAB9ARET
SCHEMBL4918790 0.75 CYP1A1 (0.33) NPC1RAB9ARET
SCHEMBL4917615 0.75 RET (0.34) NPC1RAB9ARET

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 NPC1 3497/4885RAB9A 3605/4885S1PR3 1121/4885

“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.