SCHEMBL5929074

SCHEMBL5929074

CCCCn1c(-c2c(C)ccc3[nH]ncc23)nc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HAVCR2 Q8TDQ0 1/20 0.39
▸ ABL1 P00519 2/20 0.36
▸ LCK P06239 1/20 0.36
▸ YES1 P07947 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ C5AR1 P21730 4/20 0.35
▸ ESR2 Q92731 5/20 0.34
▸ ESR1 P03372 4/20 0.34
▸ MAP4K1 Q92918 2/20 0.34
▸ WDR5 P61964 2/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ KRAS P01116 2/20 0.33

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
SCHEMBL5929037 0.87 HAVCR2 (0.38) HAVCR2ABL1LCKYES1SRC
SCHEMBL5928905 0.76 TLR8 (0.47) —
SCHEMBL5929307 0.75 TLR8 (0.38) —
SCHEMBL8047208 0.65 NOS1 (0.50) HAVCR2ESR2ESR1NOS1
SCHEMBL5928902 0.64 TLR8 (0.43) —
SCHEMBL5929077 0.63 TLR8 (0.42) —
SCHEMBL5928964 0.63 TLR8 (0.41) —
SCHEMBL20850537 0.62 CDK2 (0.43) ESR2ESR1MAP4K1NOS1
SCHEMBL3534803 0.62 MAPT (0.52) MAP4K1NOS1
SCHEMBL21986879 0.61 NOS1 (0.42) ESR2ESR1MAP4K1NOS1

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-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators NEUROGEN CORPORATION (US) 2006-07-13 — — US disclosed
WO-2005007087-A2 SUBSTITUTED (HETEROCYCLOALKYL)METHYL AZOLE DERIVATIVES AS C5A RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-01-27 — — 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-20060154917-A1 Substituted (heterocycloalkyl)methyl azole derivatives as c5a receptor modulators C5AR1, C5AR2, C3AR1 HAVCR2 267/4885ABL1 1401/4885LCK 587/4885

“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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