SCHEMBL20687950

SCHEMBL20687950

Nc1ccnn(-c2ccc(F)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.45
CYP1A2 P05177 1/20 0.45
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPBWR1 P48145 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TYK2 P29597 2/20 0.42
MCHR1 Q99705 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ABHD16A O95870 1/20 0.41
OXTR P30559 1/20 0.40
NR3C2 P08235 1/20 0.40
MAPK14 Q16539 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP11B1 P15538 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
SCHEMBL2511848 0.81 POLB (0.60) CYP1A2ALDH1A1NPBWR1NPSR1KDM4E
SCHEMBL1491089 0.77 POLB (0.64) CYP17A1CYP1A2ALDH1A1TYK2KDM4E
SCHEMBL28578776 0.77 TYK2 (0.52) ALDH1A1L3MBTL1NPBWR1NPSR1TYK2
Hydrochloric Acid SCHEMBL11470266 0.76 POLB (0.62) CYP17A1CYP1A2ALDH1A1TYK2KDM4E
SCHEMBL24878378 0.75 ALDH1A1 (0.44) ALDH1A1L3MBTL1NPBWR1NPSR1TYK2
SCHEMBL2282783 0.75 AXL (0.47) ALDH1A1L3MBTL1NPBWR1NPSR1TYK2
SCHEMBL20688039 0.75 TYK2 (0.50) CYP1A2ALDH1A1L3MBTL1NPBWR1NPSR1
SCHEMBL680352 0.75 AXL (0.47) ALDH1A1L3MBTL1NPBWR1TYK2MCHR1
SCHEMBL21227397 0.71 MAPK14 (0.45) ALDH1A1L3MBTL1NPBWR1NPSR1TYK2
SCHEMBL29151055 0.70 CA1 (0.60) ALDH1A1L3MBTL1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-10562907-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-15 US disclosed
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
WO-2019023468-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2019-01-31 WO disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 US 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 (12 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-20190248797-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP1A2 3935/4885ALDH1A1 4827/4885
US-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP1A2 3935/4885ALDH1A1 4827/4885
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP1A2 3935/4885ALDH1A1 4827/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP1A2 3935/4885ALDH1A1 4827/4885
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP1A2 3935/4885ALDH1A1 4827/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP1A2 3935/4885ALDH1A1 4827/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP1A2 3935/4885ALDH1A1 4827/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP1A2 3935/4885ALDH1A1 4827/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP1A2 3935/4885ALDH1A1 4827/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP1A2 3935/4885ALDH1A1 4827/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP1A2 3935/4885ALDH1A1 4827/4885
US-10562907-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CYP17A1 1617/4885CYP1A2 3935/4885ALDH1A1 4827/4885

“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.