SCHEMBL13149122

SCHEMBL13149122

Cc1ccc(NC2CCOCC2)nc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.63
▸ PDE10A Q9Y233 1/20 0.55
▸ CCR6 P51684 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ HCAR3 P49019 3/20 0.45
▸ IRAK4 Q9NWZ3 1/20 0.45
▸ FYN P06241 2/20 0.44
▸ MKNK1 Q9BUB5 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MAPK3 P27361 1/20 0.43
▸ CCNE1 P24864 3/20 0.43
▸ CDK2 P24941 3/20 0.43
▸ CCNT1 O60563 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
SCHEMBL827867 0.88 HCAR3 (0.56) MAPK1PDE10ACCR6MAPTRAB9A
SCHEMBL10293542 0.84 HCAR3 (0.58) MAPK1PDE10ACCR6MAPTRAB9A
SCHEMBL13115780 0.84 HCAR3 (0.58) MAPK1PDE10ACCR6MAPTRAB9A
SCHEMBL13115788 0.83 KDM4E (0.58) PDE10ACCR6MAPTRAB9ACYP11B1
SCHEMBL2634045 0.81 HCAR3 (0.54) PDE10ACCR6MAPTRAB9ACYP11B1
SCHEMBL12030297 0.81 HCAR3 (0.54) PDE10ACCR6MAPTRAB9ACYP11B1
SCHEMBL26758554 0.81 RAB9A (0.53) MAPK1MAPTRAB9A
SCHEMBL1460413 0.80 HRH3 (0.49) MAPK1CCR6MAPTRAB9ACYP11B1
SCHEMBL15221643 0.80 CYP11B1 (0.49) PDE10ACCR6MAPTRAB9ACYP11B1
SCHEMBL15204865 0.80 CYP11B1 (0.49) PDE10ACCR6MAPTRAB9ACYP11B1

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
WO-2010115264-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 — — WO disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 — — US disclosed
US-20100056524-A1 Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-03-04 — — US disclosed
WO-2009122180-A1 PYRIMIDINE DERIVATIVES CAPABLE OF INHIBITING ONE OR MORE KINASES MEDICAL RESEARCH COUNCIL (GB) 2009-10-08 — — WO disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 — — 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-20100056524-A1 Compound NR3C2, NR3C1, NR2E3 MAPK1 652/4885PDE10A 1881/4885CCR6 118/4885

“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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