SCHEMBL18593134

SCHEMBL18593134

C1=CCN(c2ccn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
KCNN4 O15554 1/20 0.33
KCNA3 P22001 1/20 0.33
PRKDC P78527 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL18593130 0.81 CYP11B1 (0.33) CYP11B1CYP11B2KCNN4KCNA3
SCHEMBL18593199 0.81 ALDH1A1 (0.32) CYP11B1CYP11B2
SCHEMBL18592944 0.76 PRKDC (0.40) PRKDC
SCHEMBL18593154 0.75
SCHEMBL18592982 0.74 SMPD3 (0.44)
SCHEMBL18592948 0.73 JAK2 (0.37)
SCHEMBL18593196 0.72
SCHEMBL20380483 0.72 FDFT1 (0.36)
SCHEMBL18592980 0.72 EIF2AK4 (0.39)
SCHEMBL18593150 0.71 JAK2 (0.38)

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CYP11B1 3696/4885CYP11B2 3385/4885KCNN4 4738/4885
US-10023571-B2 TYK2 inhibitors and uses thereof TYK2, JAK1, JAK2 CYP11B1 2365/4885CYP11B2 2183/4885KCNN4 4638/4885

“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.