SCHEMBL17693131

SCHEMBL17693131

CC(C)c1ccc2n[nH]nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
DYRK1A Q13627 3/20 0.48
KDM4E B2RXH2 2/20 0.48
F7 P08709 1/20 0.48
F3 P13726 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SCN4A P35499 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TYR P14679 1/20 0.41
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ERBB2 P04626 1/20 0.40
MAPK13 O15264 1/20 0.39
CDK1 P06493 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
CLK4 Q9HAZ1 1/20 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
SCHEMBL12938128 0.75 NPC1 (0.50) ALDH1A1KDM4ENPC1RAB9ASCN4A
SCHEMBL2706284 0.75 NPC1 (0.50) ALDH1A1KDM4ENPC1RAB9ASCN4A
SCHEMBL22725525 0.71 NPC1 (0.47) ALDH1A1KDM4ENPC1RAB9ASCN4A
SCHEMBL1619361 0.71 OGA (0.49) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL1747451 0.70 DYRK1A (0.54) ALDH1A1DYRK1AKDM4EF7F3
SCHEMBL2624404 0.70 ENPP2 (0.48) ALDH1A1KDM4ETSHRNPC1RAB9A
SCHEMBL18367038 0.70 NQO2 (0.54) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL9967690 0.70 PTPN11 (0.48) ALDH1A1KDM4ENPC1RAB9ASCN4A
SCHEMBL16639675 0.70 NPC1 (0.46) ALDH1A1KDM4ENPC1RAB9ASCN4A
SCHEMBL17460672 0.70 NPC1 (0.46) ALDH1A1DYRK1AKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139460-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2021-05-13 US disclosed
US-9896436-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-20 US disclosed
US-9896436-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-20 US disclosed
US-20170298044-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2017-10-19 US disclosed
US-20170240529-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-08-24 US disclosed
US-20170240529-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-08-24 US disclosed
US-9676770-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-06-13 US disclosed
US-9676770-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-06-13 US disclosed
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. 2016-07-07 US disclosed
US-20160108033-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 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 (5 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-20170298044-A1 HISTONE DEMETHYLASE INHIBITORS DOT1L, KDM1B, KDM1A ALDH1A1 526/4885DYRK1A 3526/4885KDM4E 17/4885
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B ALDH1A1 496/4885DYRK1A 3298/4885KDM4E 18/4885
US-20170240529-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B ALDH1A1 496/4885DYRK1A 3298/4885KDM4E 18/4885
US-20210139460-A1 HISTONE DEMETHYLASE INHIBITORS DOT1L, KDM1B, KDM1A ALDH1A1 526/4885DYRK1A 3526/4885KDM4E 17/4885
US-20160108033-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B ALDH1A1 496/4885DYRK1A 3298/4885KDM4E 18/4885

“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.