SCHEMBL4557532

SCHEMBL4557532

CCCCCc1nc2ccccc2cc1CNc1ncnc2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.46
TLR8 Q9NR97 6/20 0.45
CHEK2 O96017 1/20 0.40
FLT1 P17948 1/20 0.40
LMNA P02545 4/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
TSHR P16473 1/20 0.36
PIK3CG P48736 1/20 0.36
S1PR2 O95136 1/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.34

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
SCHEMBL250361 0.79 PIK3CD (0.38) PIK3CDCHEK2FLT1LMNATP53
SCHEMBL249910 0.78 PIK3CD (0.37) PIK3CDTLR8FLT1LMNATP53
SCHEMBL249677 0.76 PIK3CD (0.36) PIK3CDCHEK2FLT1LMNATP53
SCHEMBL788749 0.76 PIK3CD (0.74) PIK3CDALOX15TSHR
SCHEMBL681929 0.75 PIK3CD (0.49) PIK3CDPIK3CG
SCHEMBL4930409 0.75 MEN1 (0.50) LMNAHSD17B10MAPTSMN1; SMN2TSHR
SCHEMBL249302 0.74 PIK3CD (0.41) PIK3CDTLR8CHEK2FLT1LMNA
SCHEMBL4917761 0.74 MEN1 (0.49) LMNATP53HSD17B10MAPTSMN1; SMN2
SCHEMBL4933974 0.74 MEN1 (0.49) LMNATP53HSD17B10MAPTSMN1; SMN2
SCHEMBL789100 0.72 PIK3CD (0.78) PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2018-04-19 US disclosed
US-9873701-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2018-01-23 US disclosed
EP-3045458-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2016-07-20 EP disclosed
EP-2137186-B1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2016-01-27 EP disclosed
US-20150045361-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC (US) 2015-02-12 US disclosed
US-8901135-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-12-02 US disclosed
US-8586739-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-19 US disclosed
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-08-30 US disclosed
US-8193199-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2012-06-05 US disclosed
EP-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
US-20090137581-A1 Heterocyclic compounds and their uses AMGEN INC. 2009-05-28 US disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 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 (6 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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885TLR8 286/4885CHEK2 790/4885
US-20090137581-A1 Heterocyclic compounds and their uses MCL1, BCL9, MALT1 PIK3CD 16/4885TLR8 286/4885CHEK2 790/4885
US-20120220586-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885TLR8 286/4885CHEK2 790/4885
US-20150045361-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885TLR8 286/4885CHEK2 790/4885
US-20180105532-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885TLR8 286/4885CHEK2 790/4885
US-20120220585-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885TLR8 286/4885CHEK2 790/4885

“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.