SCHEMBL5780458

SCHEMBL5780458

CCCc1cncnc1Cn1ccnc1-c1cccc(F)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.32
▸ BRD4 O60885 1/20 0.30
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE1C Q14123 1/20 0.30

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
SCHEMBL5782099 0.84 CTSS (0.36) BRD4
SCHEMBL5780711 0.83 KCNH2 (0.31) —
SCHEMBL5783490 0.81 PDE10A (0.33) BRD4
SCHEMBL5886357 0.81 BRD4 (0.33) MAPTBRD4
SCHEMBL5886261 0.80 BRD4 (0.34) BRD4PDE1APDE1BPDE1C
SCHEMBL5886442 0.80 KCNH2 (0.36) BRD4
SCHEMBL4764107 0.80 ALDH1A1 (0.33) BRD4
SCHEMBL4771762 0.80 NOS2 (0.36) BRD4
SCHEMBL5886337 0.79 PDE10A (0.32) BRD4PDE1APDE1BPDE1C
SCHEMBL5886344 0.79 NPC1 (0.32) MAPT

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
EP-1560822-B1 4-IMIDAZOL-1-YLMETHYL-PYRIMIDINE DERIVATIVES AS LIGANDS FOR GABAA RECEPTORS NEUROGEN CORP (US) 2006-08-09 — — EP claimed
US-6951864-B2 4-imidazol-1-ylmethyl-pyrimidine derivatives NEUROGEN CORP. (US) 2005-10-04 — — US claimed
US-20040102457-A1 4-Imidazol-1-ylmethyl pyrimidine derivatives NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2004-05-27 — — US claimed
US-6951864-B2 4-imidazol-1-ylmethyl-pyrimidine derivatives NEUROGEN CORP. (US) 2005-10-04 — — US disclosed
US-20040102457-A1 4-Imidazol-1-ylmethyl pyrimidine derivatives NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE 2004-05-27 — — 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-20040102457-A1 4-Imidazol-1-ylmethyl pyrimidine derivatives GABRA1, GABRA4, GABRA3 MAPT 1139/4885BRD4 1167/4885PDE1A 506/4885

“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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