SCHEMBL17549930

SCHEMBL17549930

C=CCn1ccnc1CNCc1cc(C(=O)O)cc(C)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ FPR2 P25090 1/20 0.31
▸ PTK2 Q05397 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ KDM6B O15054 1/20 0.30
▸ KDM4A O75164 1/20 0.30
▸ KDM5A P29375 1/20 0.30
▸ KDM5C P41229 1/20 0.30
▸ KDM2B Q8NHM5 1/20 0.30
▸ KDM5B Q9UGL1 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ VCP P55072 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
SCHEMBL17549907 0.84 BRD4 (0.34) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL17670467 0.82 ADORA2A (0.34) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL17670471 0.82 P2RY14 (0.38) MEN1KMT2AVCP
SCHEMBL17670496 0.81 ALDH1A1 (0.40) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL17549883 0.80 HSP90AA1 (0.44) PIK3CAPIK3CGKDM4AKDM5AKDM5B
SCHEMBL17544777 0.79 HSP90AA1 (0.36) MEN1KMT2ANPSR1TDP1L3MBTL1
SCHEMBL17683749 0.79 YTHDC1 (0.34) KMT2A
SCHEMBL17670434 0.77 KLKB1 (0.39) KDM4AKDM5CKDM5B
SCHEMBL17670498 0.77 HSP90B1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL19522722 0.76 KDM4C (0.42) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
WO-2016033169-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS (US) 2016-03-03 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 MEN1 3634/4885KMT2A 34/4885NPSR1 4179/4885

“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.

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