SCHEMBL4914587

SCHEMBL4914587

CNc1ncccc1-c1cc(C2CC[N]2)on1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.37
RET P07949 8/20 0.34
ALOX5AP P20292 1/20 0.33
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
BPTF Q12830 1/20 0.30
MAP3K5 Q99683 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
SCHEMBL3922291 0.92 SMYD3 (0.35) SMYD3RETALOX5APHCRTR1HCRTR2
SCHEMBL4917420 0.83 HCRTR1 (0.35) RETHCRTR1HCRTR2NPC1RAB9A
SCHEMBL4908629 0.80 HCRTR1 (0.47) ALOX5APHCRTR1HCRTR2NPC1RAB9A
SCHEMBL3930353 0.79 CHRNB2 (0.47)
SCHEMBL3930356 0.79 CHRNB2 (0.47)
SCHEMBL4916338 0.78 RET (0.34) RETHCRTR1HCRTR2NPC1RAB9A
SCHEMBL4919484 0.75 NPC1 (0.36) SMYD3RETNPC1RAB9A
SCHEMBL3927571 0.75 HCRTR1 (0.35) RETALOX5APHCRTR1HCRTR2
SCHEMBL3929469 0.75 HCRTR1 (0.32) RETALOX5APHCRTR1HCRTR2NPC1
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 SMYD3 4669/4885RET 266/4885ALOX5AP 4512/4885

“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.