SCHEMBL22040943

SCHEMBL22040943

Cc1ccn(-c2ccnc(I)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TDO2 P48775 1/20 0.35
TYK2 P29597 1/20 0.33
ELOVL1 Q9BW60 1/20 0.33
KAT6A Q92794 2/20 0.33
HDAC4 P56524 1/20 0.33
AVPR2 P30518 4/20 0.32
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
UHRF1 Q96T88 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL15935038 0.84 RAB9A (0.47) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL22040944 0.79 MAPT (0.43) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL15924047 0.79 ELOVL1 (0.40) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL15935174 0.77 EED (0.43) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL22041242 0.77 RAB9A (0.41) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL15935032 0.77 ELOVL1 (0.44) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL24375516 0.76 RAB9A (0.44) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL15832232 0.76 AR (0.46) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL15935033 0.76 MAPT (0.40) RAB9AMAPTKDM4EALDH1A1GAA
SCHEMBL24375638 0.74 RAB9A (0.42) RAB9AMAPTKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11834449-B2 TYK2 inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-12-05 US disclosed
US-11053241-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-07-06 US disclosed
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-04 US disclosed
WO-2020112937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-06-04 WO 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-11834449-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 RAB9A 3462/4885MAPT 1236/4885KDM4E 391/4885
US-11053241-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 RAB9A 3462/4885MAPT 1236/4885KDM4E 391/4885
US-20200172540-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 RAB9A 3462/4885MAPT 1236/4885KDM4E 391/4885

“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.