SCHEMBL16096123

SCHEMBL16096123

C=CC(=O)Nc1cccc(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 7/20 0.47
▸ PTPN1 P18031 1/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ F13A1 P00488 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TGM1 P22735 1/20 0.41
▸ TGM3 Q08188 1/20 0.41
▸ BTK Q06187 6/20 0.40
▸ TEC P42680 1/20 0.40
▸ TXK P42681 1/20 0.40
▸ BMX P51813 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ ITK Q08881 1/20 0.40
▸ ERBB4 Q15303 1/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GSTO1 P78417 1/20 0.38
▸ LPAR2 Q9HBW0 1/20 0.38

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
SCHEMBL2316517 0.85 TGM2 (0.55) TGM2PTPN1PTPN11HDAC3HDAC1
SCHEMBL29416535 0.85 TGM2 (0.55) TGM2PTPN1PTPN11HDAC3HDAC1
Hydrochloric Acid SCHEMBL29278808 0.84 TGM2 (0.53) TGM2PTPN1PTPN11HDAC3HDAC1
SCHEMBL10024764 0.83 PTPN1 (0.51) TGM2PTPN1PTPN11BTK
SCHEMBL17931860 0.83 TGM2 (0.46) TGM2PTPN1PTPN11BTKTEC
SCHEMBL613090 0.78 TGM2 (0.65) TGM2PTPN1PTPN11F13A1LMNA
SCHEMBL31228347 0.78 TGM2 (0.65) TGM2PTPN1PTPN11F13A1LMNA
SCHEMBL6206535 0.77 GAA (0.55) HDAC3HDAC1HDAC2MAPK1NCOR2
SCHEMBL11325122 0.76 HDAC4 (0.41) TGM2PTPN1PTPN11BTKTEC
SCHEMBL5516360 0.76 ALDH1A1 (0.52) HDAC3HDAC1HDAC2MAPK1

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 TGM2 1258/4885PTPN1 1477/4885PTPN11 1648/4885
US-10138256-B2 MK2 inhibitors and uses thereof MKNK2, DUSP2, MKNK1 TGM2 1258/4885PTPN1 1477/4885PTPN11 1648/4885
US-20190135835-A1 MK2 INHIBITORS AND USES THEREOF MKNK2, DUSP2, MKNK1 TGM2 1258/4885PTPN1 1477/4885PTPN11 1648/4885

“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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