SCHEMBL18577609

SCHEMBL18577609

Ic1ccn(Cc2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.48
CACNA1G O43497 6/20 0.47
CACNA1I Q9P0X4 6/20 0.47
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CACNA1H O95180 5/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL634581 0.80 ALDH1A1 (0.65) CYP19A1CACNA1GCACNA1IALDH1A1NPC1
SCHEMBL18096199 0.77 CACNA1G (0.49) CACNA1GCACNA1IALDH1A1NPC1RAB9A
SCHEMBL18577540 0.76 CYP19A1 (0.48) CYP19A1CACNA1GCACNA1IALDH1A1NPC1
SCHEMBL22149669 0.76 CYP19A1 (0.48) CYP19A1CACNA1GCACNA1IALDH1A1NPC1
SCHEMBL10247346 0.76 GFER (0.60) CYP19A1CACNA1GCACNA1IALDH1A1NPC1
SCHEMBL8011610 0.76 CACNA1G (0.51) CYP19A1CACNA1GCACNA1IALDH1A1NPC1
SCHEMBL7862499 0.76 NPC1 (0.49) CYP19A1CACNA1GCACNA1IALDH1A1NPC1
SCHEMBL18593139 0.76 ALDH1A1 (0.51) CYP19A1CACNA1GCACNA1IALDH1A1NPC1
SCHEMBL5869934 0.74 HDAC1 (0.55) CYP19A1CACNA1GCACNA1IALDH1A1NPC1
SCHEMBL7494123 0.74 RAB9A (0.68) CYP19A1CACNA1GCACNA1IALDH1A1NPC1

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 20 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-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
EP-3344624-B1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI INC (US) 2023-10-25 EP disclosed
US-20230074228-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-03-09 US disclosed
US-11434240-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2022-09-06 US disclosed
US-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-18 US disclosed
US-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-18 US disclosed
US-10781204-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-09-22 US disclosed
US-10781204-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-09-22 US disclosed
US-20180354949-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-12-13 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-10023571-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2018-07-17 US disclosed
EP-3344624-A1 TYK2 INHIBITORS AND USES THEREOF Nimbus Lakshmi, Inc. (US) 2018-07-11 EP 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
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
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 (7 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 CYP19A1 2724/4885CACNA1G 4454/4885CACNA1I 4089/4885
US-10023571-B2 TYK2 inhibitors and uses thereof TYK2, JAK1, JAK2 CYP19A1 1705/4885CACNA1G 4290/4885CACNA1I 3256/4885
US-11434240-B2 TYK2 inhibitors and uses thereof TYK2, JAK1, JAK2 CYP19A1 1705/4885CACNA1G 4290/4885CACNA1I 3256/4885
US-20210047319-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP19A1 2724/4885CACNA1G 4454/4885CACNA1I 4089/4885
US-20180354949-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP19A1 2724/4885CACNA1G 4454/4885CACNA1I 4089/4885
US-20230074228-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP19A1 2724/4885CACNA1G 4454/4885CACNA1I 4089/4885
US-10781204-B2 TYK2 inhibitors and uses thereof TYK2, JAK1, JAK2 CYP19A1 1705/4885CACNA1G 4290/4885CACNA1I 3256/4885

“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.