SCHEMBL4916338

SCHEMBL4916338

N#Cc1ncccc1-c1cc(C2CC[N]2)on1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 5/20 0.34
BACE1 P56817 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
BRD4 O60885 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
ELANE P08246 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL3919791 0.92 BACE1 (0.32) RETBACE1IRAK4BRD4HCRTR1
SCHEMBL4918812 0.81 IRAK4 (0.36) RETBACE1IRAK4BRD4PRMT5
SCHEMBL4917066 0.81 IRAK4 (0.36) RETBACE1IRAK4BRD4PRMT5
SCHEMBL4917420 0.81 HCRTR1 (0.35) RETNPC1RAB9ABRD4HCRTR1
SCHEMBL3929077 0.79 CHRNB2 (0.47) IRAK4
SCHEMBL3918329 0.79 CHRNB2 (0.47) IRAK4
SCHEMBL4914587 0.78 SMYD3 (0.37) RETNPC1RAB9AHCRTR1HCRTR2
SCHEMBL4908629 0.78 HCRTR1 (0.47) NPC1RAB9AHCRTR1HCRTR2
SCHEMBL4919484 0.75 NPC1 (0.36) RETNPC1RAB9A
SCHEMBL4401708 0.74 KDM4E (0.42) NPC1RAB9A

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 RET 266/4885BACE1 2438/4885IRAK4 468/4885

“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.