SCHEMBL16096407

SCHEMBL16096407

C=CC(=O)Nc1nc(N2CCCCC2)sc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.40
▸ TGM2 P21980 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PIN1 Q13526 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ F13A1 P00488 1/20 0.34
▸ TGM1 P22735 1/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 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
SCHEMBL16096216 0.81 ALDH1A1 (0.38) ALDH1A1TGM2GAAHSD17B10MAPK1
SCHEMBL25598262 0.71 NPC1 (0.54) ALDH1A1TGM2HSD17B10MAPK1MAPT
SCHEMBL25598400 0.70 RAB9A (0.65) ALDH1A1TGM2GAAHSD17B10MAPK1
SCHEMBL25598272 0.69 NPC1 (0.53) ALDH1A1TGM2HSD17B10MAPK1MAPT
SCHEMBL25598211 0.69 SMN1; SMN2 (0.38) ALDH1A1TGM2HSD17B10MAPTSMN1; SMN2
SCHEMBL2801255 0.65 CXCR4 (0.56) TGM2F13A1TGM1BTKKCNH2
SCHEMBL2799132 0.62 ADORA2A (0.46) ALDH1A1TGM2GAAMAPTSMN1; SMN2
SCHEMBL10362047 0.62 TGM2 (0.65) ALDH1A1TGM2GAAMAPK1MAPT
SCHEMBL4959022 0.61 ALDH1A1 (0.63) ALDH1A1GAAHSD17B10MAPK1PIN1
SCHEMBL22356329 0.60 TGM2 (0.39) ALDH1A1TGM2MAPK1F13A1TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110746424-A MK2 inhibitors and uses thereof 西建卡尔有限责任公司 2020-02-04 — — CN disclosed
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
CN-105163738-A MK2 inhibitors and uses thereof CELGENE AVILOMICS RES INC 2015-12-16 — — CN 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 ALDH1A1 4078/4885TGM2 1258/4885GAA 2587/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 ALDH1A1 4078/4885TGM2 1258/4885GAA 2587/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 ALDH1A1 4078/4885TGM2 1258/4885GAA 2587/4885

“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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