SCHEMBL18593147

SCHEMBL18593147

CC(=O)Nc1ccn(Cc2ccccc2)n1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1I Q9P0X4 14/20 0.72
CACNA1G O43497 13/20 0.72
CACNA1H O95180 12/20 0.66
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
ALDH1A1 P00352 2/20 0.64
SMN1; SMN2 Q16637 3/20 0.63
LMNA P02545 1/20 0.63
CACNA1C Q13936 1/20 0.61
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.57
HTT P42858 1/20 0.57
HSD17B10 Q99714 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ITK Q08881 1/20 0.57

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
SCHEMBL3439994 0.87 LMNA (0.69) CACNA1ICACNA1GCACNA1HNPC1RAB9A
SCHEMBL24335810 0.87 LMNA (0.61) CACNA1ICACNA1GCACNA1HNPC1RAB9A
SCHEMBL3440074 0.85 NPC1 (0.67) CACNA1ICACNA1GCACNA1HNPC1RAB9A
SCHEMBL15165811 0.85 CACNA1I (0.53) CACNA1ICACNA1GCACNA1HNPC1RAB9A
SCHEMBL3440003 0.82 LDHB (0.57) CACNA1ICACNA1GCACNA1HNPC1RAB9A
SCHEMBL3439964 0.81 CACNA1G (0.64) CACNA1ICACNA1GCACNA1HNPC1RAB9A
SCHEMBL10241140 0.81 CACNA1I (0.51) CACNA1ICACNA1GCACNA1HNPC1RAB9A
SCHEMBL2113322 0.80 MAPT (0.58) CACNA1ICACNA1GCACNA1HNPC1RAB9A
SCHEMBL15165793 0.80 MAPT (0.49) CACNA1ICACNA1GCACNA1HNPC1RAB9A
SCHEMBL3439966 0.80 CACNA1G (0.50) CACNA1ICACNA1GCACNA1HNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327809-A2 TYK2 INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2024-02-28 EP disclosed
EP-3344624-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2023-10-25 EP disclosed
CN-112062754-B Preparation method of intermediate for synthesizing Dorzagliatin 深圳市华先医药科技有限公司 2022-06-21 CN disclosed
US-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-18 US disclosed
CN-112062754-A Preparation method of intermediate for synthesizing Dorzagliatin 深圳市华先医药科技有限公司 2020-12-11 CN disclosed
US-10781204-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-09-22 US disclosed
US-10023571-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2018-07-17 US disclosed
US-10023571-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2018-07-17 US disclosed
US-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
US-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
WO-2017040757-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2017-03-09 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 (4 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-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CACNA1I 4089/4885CACNA1G 4454/4885CACNA1H 4375/4885
US-10023571-B2 TYK2 inhibitors and uses thereof TYK2, JAK1, JAK2 CACNA1I 3256/4885CACNA1G 4290/4885CACNA1H 4169/4885
US-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CACNA1I 4089/4885CACNA1G 4454/4885CACNA1H 4375/4885
US-10781204-B2 TYK2 inhibitors and uses thereof TYK2, JAK1, JAK2 CACNA1I 3256/4885CACNA1G 4290/4885CACNA1H 4169/4885

“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.