SCHEMBL29933008

SCHEMBL29933008

c1ccc(Nc2nccs2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MECP2 P51608 1/20 0.54
KCNN1 Q92952 1/20 0.54
KCNN2 Q9H2S1 1/20 0.54
MBD2 Q9UBB5 1/20 0.54
KCNN3 Q9UGI6 1/20 0.54
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPK10 P53779 1/20 0.53
GFER P55789 1/20 0.53
KDR P35968 5/20 0.53
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
TP53 P04637 3/20 0.53
MAPT P10636 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL2066398 1.00 MECP2 (0.54) MECP2KCNN1KCNN2MBD2KCNN3
Bromide SCHEMBL7508960 0.98 MECP2 (0.53) MECP2KCNN1KCNN2MBD2KCNN3
SCHEMBL29074232 0.82 KCNN1 (0.56) MECP2KCNN1KCNN2MBD2KCNN3
SCHEMBL28632060 0.81 KDM4E (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3502567 0.79 KDR (0.53) MECP2KCNN1KCNN2MBD2KCNN3
Hydrochloric Acid SCHEMBL3499739 0.78 KDR (0.53) MECP2KCNN1KCNN2MBD2KCNN3
SCHEMBL221242 0.76 KMT2A (0.76) MECP2KCNN1KCNN2MBD2KCNN3
SCHEMBL29391624 0.76 KMT2A (0.76) MECP2KCNN1KCNN2MBD2KCNN3
SCHEMBL1369210 0.76 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL722560 0.76 RAB9A (0.59) MEN1KMT2AKDRNPC1RAB9A

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-20240383884-A1 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. 2024-11-21 US disclosed
CN-110099684-B Compounds and methods for modulating interleukin-2-inducible T cell kinase 科尔沃斯制药股份有限公司 2022-11-11 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-20240383884-A1 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE IL2, NFATC1, IL2RA MECP2 2468/4885KCNN1 3723/4885KCNN2 2769/4885

“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.