SCHEMBL16095853

SCHEMBL16095853

[N-]=[N+]=NCc1csc(NC(=O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PDE5A O76074 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ AOC3 Q16853 1/20 0.36

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
SCHEMBL16123392 0.80 SIRT1 (0.45) SMN1; SMN2KMT2AALDH1A1HPGDLMNA
SCHEMBL465934 0.76 SMN1; SMN2 (0.51) SMN1; SMN2KMT2APDE5AKDM4ENPC1
SCHEMBL17674539 0.74 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL353851 0.74 SMN1; SMN2 (0.73) SMN1; SMN2KMT2APDE5AKDM4ENPC1
SCHEMBL12468610 0.74 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL3511778 0.74 SMN1; SMN2 (0.50) SMN1; SMN2KMT2APDE5AKDM4ENPC1
SCHEMBL20557939 0.73 CDK5 (0.37) KMT2AALDH1A1MEN1
SCHEMBL3612370 0.73 SMN1; SMN2 (0.49) SMN1; SMN2KMT2APDE5AKDM4ENPC1
SCHEMBL27652153 0.73 SLC6A3 (0.41) SMN1; SMN2KMT2AKDM4ENPC1RAB9A
SCHEMBL20751484 0.72 HDAC6 (0.39) —

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-20190135835-A1 MK2 INHIBITORS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-05-09 — — US disclosed
US-10138256-B2 MK2 inhibitors and uses thereof CELGENE CAR LLC (BM) 2018-11-27 — — US disclosed
EP-2968339-A1 MK2 INHIBITORS AND USES THEREOF Celgene Avilomics Research, Inc. (US) 2016-01-20 — — EP disclosed
US-20150376208-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2015-12-31 — — US disclosed
WO-2014149164-A1 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2014-09-25 — — 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 (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-20150376208-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 SMN1; SMN2 4098/4885KMT2A 377/4885CYP1A2 1428/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 SMN1; SMN2 4098/4885KMT2A 377/4885CYP1A2 1428/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 SMN1; SMN2 4098/4885KMT2A 377/4885CYP1A2 1428/4885

“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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