SCHEMBL20156028

SCHEMBL20156028

Cc1csc(-c2ccc(N)c(C)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP2E1 P05181 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
NOS1 P29475 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
TGFBR1 P36897 3/20 0.40
AOC3 Q16853 2/20 0.40
PDE10A Q9Y233 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40

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
SCHEMBL7453408 0.83 CYP3A4 (0.46) CYP3A4ALDH1A1CYP2E1CYP2A6CYP2C9
SCHEMBL25873252 0.79 CYP2E1 (0.46) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL8261226 0.79 CYP3A4 (0.46) CYP3A4ALDH1A1CYP2E1CYP2A6CYP2C9
SCHEMBL16549550 0.79 CYP3A4 (0.50) CYP3A4ALDH1A1TSHRTDP1CYP2E1
SCHEMBL25872960 0.79 CYP2E1 (0.46) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL8198560 0.79 CYP3A4 (0.60) CYP3A4ALDH1A1CYP2E1CYP2A6CYP2C9
SCHEMBL20092399 0.79 TYK2 (0.48) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL13680611 0.78 CYP3A4 (0.51) CYP3A4ALDH1A1CYP2E1CYP2A6CYP2C9
SCHEMBL7905176 0.77 CYP3A4 (0.58) CYP3A4ALDH1A1CYP2E1CYP2A6CYP2C9
SCHEMBL13629590 0.77 KDM4E (0.56) CYP3A4ALDH1A1TDP1CYP2E1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-04-01 US disclosed
US-10647713-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2020-05-12 US disclosed
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-17 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 (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-20210094948-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP3A4 4404/4885ALDH1A1 4827/4885TSHR 1652/4885
US-20180134700-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CYP3A4 4404/4885ALDH1A1 4827/4885TSHR 1652/4885
US-10647713-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CYP3A4 4404/4885ALDH1A1 4827/4885TSHR 1652/4885

“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.