SCHEMBL22410656

SCHEMBL22410656

Cc1nc2cc(C(=O)N3CCc4c(nc(N5CCOCC5)[nH]c4=O)C3)ccc2n1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.47
▸ MGLL Q99685 9/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ MTOR P42345 1/20 0.38

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
SCHEMBL6848676 0.75 HPGD (0.53) MGLLALDH1A1TSHRHPGDADORA2A
SCHEMBL22410646 0.74 ADORA2A (0.52) MGLLALDH1A1TSHRHPGDADORA2A
SCHEMBL22410782 0.73 TSHR (0.46) KMT2AMEN1ALDH1A1TSHRHPGD
SCHEMBL22410640 0.73 ALDH1A1 (0.50) KMT2AMGLLALDH1A1TSHRADORA2A
SCHEMBL6848943 0.73 TSHR (0.57) KMT2AMEN1ALDH1A1TSHRHPGD
SCHEMBL22410647 0.72 MAPK1 (0.52) MAPTMGLLHPGDADORA2AADORA1
SCHEMBL22410785 0.72 SPR (0.47) ALDH1A1TSHRADORA2AADORA1
SCHEMBL22410700 0.71 MAPK1 (0.51) MAPTMGLLHPGDADORA2AADORA1
SCHEMBL22410903 0.71 ALDH1A1 (0.58) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL6848735 0.70 TSHR (0.49) KMT2AMAPTMGLLALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2023-03-23 — — US claimed
EP-3938362-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-01-19 — — EP claimed
WO-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 — — WO claimed
US-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES JANSSEN PHARMACEUTICA NV (BE) 2023-03-23 — — US disclosed
EP-3938362-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2022-01-19 — — EP disclosed
WO-2020182990-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-09-17 — — 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 (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-20230091047-A1 FUSED RING PYRIMIDONE DERIVATIVES FOR USE IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES HAVCR2, HCCS, TYMP KMT2A 3564/4885MEN1 4240/4885MAPT 4036/4885

“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.

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