SCHEMBL5929037

SCHEMBL5929037

CCCCn1c(-c2c(C)ccc3[nH]ncc23)nc(Cl)c1C=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HAVCR2 Q8TDQ0 1/20 0.38
▸ ABL1 P00519 2/20 0.35
▸ LCK P06239 1/20 0.35
▸ YES1 P07947 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ KRAS P01116 4/20 0.33
▸ ESR2 Q92731 4/20 0.33
▸ ESR1 P03372 3/20 0.33
▸ MAP4K1 Q92918 3/20 0.33
▸ C5AR1 P21730 1/20 0.33
▸ WDR5 P61964 2/20 0.32
▸ GP6 Q9HCN6 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
SCHEMBL5929074 0.87 HAVCR2 (0.39) HAVCR2ABL1LCKYES1SRC
SCHEMBL5928964 0.80 TLR8 (0.41) GP6
SCHEMBL5928905 0.64 TLR8 (0.47) —
SCHEMBL11911431 0.63 JAK2 (0.41) ESR2ESR1MAP4K1
SCHEMBL5929307 0.62 TLR8 (0.38) —
SCHEMBL2560827 0.62 KDM4E (0.38) —
SCHEMBL1912824 0.61 PTGER4 (0.35) —
SCHEMBL8047208 0.61 NOS1 (0.50) HAVCR2ESR2ESR1
SCHEMBL31437219 0.60 KDM4E (0.40) HAVCR2ABL1KRASMAP4K1
SCHEMBL26674579 0.60 KDM4E (0.40) HAVCR2ABL1KRASMAP4K1

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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