SCHEMBL21285237

SCHEMBL21285237

CNc1cccn(-c2ccccc2F)c1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
TYK2 P29597 3/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MGLL Q99685 1/20 0.40
KDM4E B2RXH2 2/20 0.39
G6PD P11413 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NOX4 Q9NPH5 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL21227347 0.83 PTGS1 (0.41) PTGS1PTGS2TYK2MEN1KMT2A
SCHEMBL20687704 0.76 TYK2 (0.55) TYK2
SCHEMBL20689347 0.76 PTGS1 (0.44) PTGS1PTGS2TYK2MEN1KMT2A
SCHEMBL20687681 0.75 GRM1 (0.49) PTGS1PTGS2TYK2MEN1KMT2A
SCHEMBL15333550 0.75 PTGS1 (0.47) PTGS1PTGS2MEN1KMT2AMGLL
SCHEMBL21227430 0.74 TYK2 (0.48) TYK2
SCHEMBL20689348 0.73 KMT2A (0.48) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL20687683 0.72 TYK2 (0.44) TYK2MEN1KMT2AMGLLALDH1A1
SCHEMBL20689349 0.71 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2AMGLL
SCHEMBL20687705 0.70 TYK2 (0.53) TYK2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 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-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 PTGS1 4321/4885PTGS2 3848/4885TYK2 1/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 PTGS1 4321/4885PTGS2 3848/4885TYK2 1/4885

“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.