SCHEMBL844502

SCHEMBL844502

[C-]#[N+]C1(c2ccc3ncccc3c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ATM Q13315 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DYRK1A Q13627 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.38
CHRNA7 P36544 1/20 0.38

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
SCHEMBL2178165 0.76 ALDH1A1 (0.53) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL27452226 0.76 ALDH1A1 (0.53) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL836451 0.72 ALDH1A1 (0.49) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL834676 0.72 NPC1 (0.47) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL2037389 0.71 AKR1C3 (0.55) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL28192578 0.71 POLB (0.46) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL29951641 0.69 NPC1 (0.57) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL28192575 0.69 NPC1 (0.44) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL1952897 0.69 NPC1 (0.47) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL1951383 0.68 NPC1 (0.42) POLBNPC1RAB9AALDH1A1MAPT

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 6 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
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 POLB 4154/4885NPC1 2627/4885RAB9A 3718/4885
US-20100130467-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET POLB 4154/4885NPC1 2627/4885RAB9A 3718/4885
US-20110144113-A1 TRIAZOLOTRIAZINES AS KINASE INHIBITORS MET, ERBB2, RET POLB 4154/4885NPC1 2627/4885RAB9A 3718/4885

“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.