SCHEMBL31492979

SCHEMBL31492979

CN1CCN(c2nnc(Br)s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GPX4 P36969 9/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.36
PIM1 P11309 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
SCHEMBL21725122 0.80 ALDH1A1 (0.57) ALDH1A1GAAMAPK1HSD17B10RAB9A
SCHEMBL15478022 0.79 CACNA2D1 (0.36) ALDH1A1MAPK1RAB9AKDM4ENPC1
SCHEMBL12263521 0.79 HSD17B10 (0.49) TDP1ALDH1A1GAAMAPK1HSD17B10
SCHEMBL12245073 0.79 HRH3 (0.52) ALDH1A1GAAMAPK1HSD17B10RAB9A
SCHEMBL21737951 0.78 ALDH1A1 (0.61) ALDH1A1GAAMAPK1HSD17B10RAB9A
SCHEMBL2397484 0.78 ALDH1A1 (0.66) TDP1ALDH1A1GAAMAPK1HSD17B10
SCHEMBL21738073 0.76 GAA (0.36) ALDH1A1GAAMAPK1HSD17B10RAB9A
SCHEMBL21738056 0.76 HDAC3 (0.52) TDP1ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL16982109 0.76 POLB (0.42) TDP1GPX4POLB
SCHEMBL25859539 0.75 RAB9A (0.42) ALDH1A1GAAMAPK1HSD17B10RAB9A

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-20260028365-A1 TYROSINE KINASE 2 INHIBITORS AND USES THEREOF BIOGEN MA INC (US) 2026-01-29 US disclosed
CN-119894879-A Tyrosine kinase 2 inhibitors and uses thereof 渤健马萨诸塞州股份有限公司 2025-04-25 CN 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 (1 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-20260028365-A1 TYROSINE KINASE 2 INHIBITORS AND USES THEREOF TYK2, ERBB2, ROS1 TDP1 933/4885ALDH1A1 2989/4885GAA 2592/4885

“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.