SCHEMBL5748919

SCHEMBL5748919

C[C@H](CO[Si](C)(C)C(C)(C)C)Nc1cncc(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL27648665 1.00 CSF1R (0.33) CSF1RCYP1A2CYP3A4CYP2C19SLC22A12
SCHEMBL14780159 0.86 CSF1R (0.32) CSF1RCYP1A2CYP3A4CYP2C19SLC22A12
SCHEMBL5751231 0.84 CYP1A2 (0.34) CSF1RCYP1A2CYP3A4CYP2C19SLC22A12
SCHEMBL27669017 0.82 GPR55 (0.33) —
SCHEMBL5750833 0.82 GPR55 (0.33) —
SCHEMBL22490298 0.76 — —
SCHEMBL1558215 0.71 CSF1R (0.41) CSF1RSLC22A12KDM4EMEN1ALDH1A1
SCHEMBL1642687 0.71 GRM5 (0.39) CYP1A2CYP2C19MEN1ALDH1A1MAPT
SCHEMBL380517 0.70 TACR1 (0.37) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL30702093 0.70 TACR1 (0.37) CYP1A2CYP3A4CYP2C19KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060199823-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands NEUROGEN CORPORATION (US) 2006-09-07 — — US disclosed
EP-1680424-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS Neurogen Corporation (US) 2006-07-19 — — EP disclosed
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands AVENTIS PHARMACEUTICALS, INC. 2005-05-26 — — US disclosed
WO-2005023806-A2 HETEROARYL FUSED PYRIDINES, PYRAZINES AND PYRIMIDINES AS CRF1 RECEPTOR LIGANDS NEUROGEN CORPORATION (US) 2005-03-17 — — 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 (2 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-20060199823-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CSF1R 865/4885CYP1A2 3279/4885CYP3A4 3014/4885
US-20050113379-A1 Heteroaryl fused pyridines, pyrazines and pyrimidines as CRF1 receptor ligands CRHR1, CRHR2, HTR5A CSF1R 865/4885CYP1A2 3279/4885CYP3A4 3014/4885

“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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