SCHEMBL837811

SCHEMBL837811

COc1ccc(C2(c3nnc4nc(-c5ccc(C(=O)O)cc5)cnn34)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.51
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PIM3 Q86V86 1/20 0.42
HSD11B1 P28845 1/20 0.42
CSNK2A1 P68400 3/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 2/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAP4K4 O95819 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 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
SCHEMBL835811 0.91 SMN1; SMN2 (0.38) CHEK1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL835208 0.88 KDM4E (0.40) CHEK1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL837148 0.88 SMN1; SMN2 (0.42) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL835971 0.86 HSD11B1 (0.42) HSD11B1
SCHEMBL838255 0.86 SMN1; SMN2 (0.41) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL837514 0.86 HSD11B2 (0.38) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL837504 0.86 HSD11B1 (0.43) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL837096 0.86 HSD11B1 (0.44) ALDH1A1SMN1; SMN2HSD11B1POLBHSD17B10
SCHEMBL837728 0.84 CHEK1 (0.46) CHEK1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL835760 0.84 CSNK2A1 (0.41) CHEK1ALDH1A1KDM4ESMN1; SMN2CSNK2A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 US disclosed
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2011-06-16 US disclosed
US-7915408-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2011-03-29 US disclosed
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2010-05-27 US disclosed
US-7683060-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2010-03-23 US disclosed
EP-2057164-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS Incyte Corporation (US) 2009-05-13 EP disclosed
WO-2008021781-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-21 WO disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 US 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 (3 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-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET CHEK1 75/4885ALDH1A1 2912/4885KDM4E 857/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET CHEK1 75/4885ALDH1A1 2912/4885KDM4E 857/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET CHEK1 75/4885ALDH1A1 2912/4885KDM4E 857/4885

“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.