SCHEMBL30499441

SCHEMBL30499441

CN1CCN(c2cnc(C(=O)c3cnc(N4CCN(C)CC4)cn3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.46
HRH4 Q9H3N8 3/20 0.45
HTR3A P46098 2/20 0.45
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ADRA1A P35348 1/20 0.41
FGFR1 P11362 1/20 0.40

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
SCHEMBL28630760 0.88 HDAC3 (0.46) HDAC3HRH4HTR3ARAB9AL3MBTL1
SCHEMBL24026553 0.88 KCNJ1 (0.49) HDAC3HRH4HTR3ARAB9AL3MBTL1
SCHEMBL64138 0.84 SMO (0.47) HDAC3HRH4HTR3ARAB9AL3MBTL1
SCHEMBL24315987 0.83 PRKCQ (0.43) HDAC3HRH4HTR3ARAB9AL3MBTL1
SCHEMBL24315986 0.79 SMO (0.44) HDAC3RAB9AL3MBTL1HDAC1HDAC2
SCHEMBL27858848 0.79 ALDH1A1 (0.51) RAB9ASMN1; SMN2
SCHEMBL81828 0.76 HTR3A (0.52) HRH4HTR3ARAB9AL3MBTL1
SCHEMBL21776925 0.75 RAB9A (0.59) HDAC3HTR3ARAB9AL3MBTL1HDAC2
SCHEMBL24003412 0.74 ADRA1A (0.48) HDAC3HDAC1HDAC2ADRA1A
SCHEMBL27767055 0.74 AOC3 (0.43) HDAC3HRH4HTR3ARAB9AL3MBTL1

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
EP-4553076-A1 COMPOUNDS AS TRK INHIBITORS AND/OR RET INHIBITORS AND USE THEREOF Medinno Pharmaceutical Technology (Zhuhai) Co., Ltd. (CN) 2025-05-14 EP disclosed
US-20230201165-A1 JAK INHIBITOR COMPOUND FOR TREATING SEVERE PNEUMONIA HENAN MEDINNO PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-06-29 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 (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-20230201165-A1 JAK INHIBITOR COMPOUND FOR TREATING SEVERE PNEUMONIA JAK1, JAK2, JAK3 HDAC3 874/4885HRH4 768/4885HTR3A 3339/4885

“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.