SCHEMBL853202

SCHEMBL853202

CC(C)NC(=O)c1ccc(N)nc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
GABRA5 P31644 4/20 0.55
GABRP O00591 1/20 0.55
GABRD O14764 1/20 0.55
GABRA1 P14867 1/20 0.55
GABRB1 P18505 1/20 0.55
GABRG2 P18507 1/20 0.55
GABRB3 P28472 1/20 0.55
GABRA3 P34903 1/20 0.55
GABRA2 P47869 1/20 0.55
GABRB2 P47870 1/20 0.55
GABRA4 P48169 1/20 0.55
GABRE P78334 1/20 0.55
GABRA6 Q16445 1/20 0.55
GABRG1 Q8N1C3 1/20 0.55
GABRG3 Q99928 1/20 0.55
GABRQ Q9UN88 1/20 0.55
NNMT P40261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL13450298 0.82 HDAC1 (0.54) HDAC1HDAC6GABRA5GABRPGABRD
SCHEMBL5429490 0.81 HDAC1 (0.66) HDAC1HDAC6GABRA5GRM5MLYCD
SCHEMBL13164714 0.81 GRM5 (0.56) SMN1; SMN2GRM5MLYCDHPGDSXDH
SCHEMBL27061718 0.80 HDAC1 (0.60) HDAC1HDAC6GRM5MLYCDHPGDS
SCHEMBL259496 0.80 HDAC6 (0.70) HDAC1HDAC6GABRA5GABRPGABRD
SCHEMBL27316750 0.80 GRM5 (0.51) NNMTGRM5MLYCDHPGDSXDH
SCHEMBL24554346 0.79 GRM5 (0.54) GABRA5GRM5EPHX2MLYCDHPGDS
SCHEMBL21401430 0.79 GRM5 (0.54) HDAC1HDAC6GABRA5GRM5MLYCD
SCHEMBL6870509 0.79 LMNA (0.60) SMN1; SMN2GRM5ALDH1A1LMNAMAPT
SCHEMBL26763421 0.79 GRM5 (0.54) GABRA5GRM5EPHX2MLYCDHPGDS

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019518-A1 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2022-06-29 EP disclosed
EP-3110820-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2022-04-06 EP disclosed
US-10196390-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2019-02-05 US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-08-31 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-9630970-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2017-04-25 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-13 US disclosed
US-9340540-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2016-05-17 US disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP 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-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B HDAC1 443/4885HDAC6 1276/4885GABRA5 431/4885
US-10196390-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 HDAC1 2265/4885HDAC6 945/4885GABRA5 2230/4885
US-20160297826-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 HDAC1 2265/4885HDAC6 945/4885GABRA5 2230/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B HDAC1 443/4885HDAC6 1276/4885GABRA5 431/4885
US-20170247373-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 HDAC1 2265/4885HDAC6 945/4885GABRA5 2230/4885

“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.