SCHEMBL838517

SCHEMBL838517

O=C(O)C1(c2ccc3ncsc3c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
KDM4E B2RXH2 2/20 0.54
HKDC1 Q2TB90 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP2C9 P11712 4/20 0.42
APP P05067 3/20 0.42
OTUD7B Q6GQQ9 1/20 0.41
GFER P55789 1/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MEN1 O00255 4/20 0.40
CRBN Q96SW2 1/20 0.39
CYP2C19 P33261 3/20 0.39

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
SCHEMBL1721474 0.74 AKR1C3 (0.44) NPC1RAB9AKDM4ECYP2C9APP
SCHEMBL838020 0.74 KDM4E (0.44) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL836462 0.71 L3MBTL1 (0.41) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL22341606 0.70 NPC1 (0.58) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL12486028 0.70 NPC1 (0.49) NPC1RAB9ACYP2C9APPKMT2A
SCHEMBL2037389 0.70 AKR1C3 (0.55) NPC1RAB9AKDM4EKMT2ASMN1; SMN2
SCHEMBL3930292 0.69 NPC1 (0.72) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL10347638 0.69 NPC1 (0.96) NPC1RAB9AKDM4EHKDC1TDP1
Acetic Acid SCHEMBL2098093 0.68 NPC1 (0.60) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL1465477 0.67 MEN1 (0.50) NPC1RAB9ACYP2C9APPKMT2A

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 18 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-8143251-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2012-03-27 US disclosed
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-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2011-06-16 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-7915408-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2011-03-29 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-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION 2010-05-27 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
US-7683060-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2010-03-23 US disclosed
US-7683060-B2 Triazolotriazines as kinase inhibitors INCYTE CORPORATION (US) 2010-03-23 US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 US disclosed
US-20080039457-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS INCYTE CORPORATION (US) 2008-02-14 US 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 NPC1 2627/4885RAB9A 3718/4885KDM4E 857/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET NPC1 2627/4885RAB9A 3718/4885KDM4E 857/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET NPC1 2627/4885RAB9A 3718/4885KDM4E 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.