SCHEMBL13061008

SCHEMBL13061008

CCc1cccc(N2CCN(C(=O)N(C)C)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
MAPT P10636 2/20 0.46
CCKAR P32238 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
LMNA P02545 2/20 0.44
HTR2A P28223 1/20 0.43
HTR6 P50406 1/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MGLL Q99685 1/20 0.43
USP2 O75604 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13005475 0.86 HRH3 (0.46) HRH3MAPTHTR1AHTR7LMNA
SCHEMBL22892232 0.83 ALDH1A1 (0.53) MAPTALDH1A1HTR1AHTR7TSHR
SCHEMBL20884575 0.82 MAPT (0.56) HRH3MAPTALDH1A1LMNATSHR
SCHEMBL18997519 0.82 PDK2 (0.49) MAPTCCKARALDH1A1HTR1AHTR7
SCHEMBL21169221 0.81 DRD2 (0.52) HRH3MAPTALDH1A1HTR1AHTR7
SCHEMBL10174536 0.81 MAPT (0.57) MAPTALDH1A1LMNAMAPK1USP2
SCHEMBL24721519 0.80 KMT2A (0.56) MAPTALDH1A1MEN1KMT2A
SCHEMBL23544851 0.79 NOTUM (0.53) HRH3MAPTALDH1A1HTR1AHTR7
SCHEMBL11048879 0.79 HRH3 (0.59) HRH3MAPTALDH1A1HTR1AHTR7
SCHEMBL7334881 0.77 GPR119 (0.57) MAPTALDH1A1LMNANPSR1MEN1

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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-11 US disclosed
US-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 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-11697648-B2 Fused pyrimidine pyridinone compounds as JAK inhibitors JAK3, JAK1, JAK2 HRH3 529/4885MAPT 3409/4885CCKAR 2535/4885

“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.