SCHEMBL3733641

SCHEMBL3733641

Cc1nc2ccccc2n1C1CCN(C)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 7/20 0.62
▸ CYP2D6 P10635 2/20 0.62
▸ LMNA P02545 2/20 0.54
▸ MAPK1 P28482 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ UBE2N P61088 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ OPRM1 P35372 3/20 0.47
▸ OPRK1 P41145 3/20 0.47
▸ OPRD1 P41143 2/20 0.47
▸ OPRL1 P41146 2/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL3732583 0.91 CCR5 (0.64) CCR5CYP2D6LMNAMAPK1KDR
SCHEMBL9689803 0.84 CHRM2 (0.48) CCR5CYP2D6OPRM1OPRK1OPRD1
SCHEMBL15345119 0.83 CYP2D6 (0.44) CCR5CYP2D6LMNAHRH3
SCHEMBL15344961 0.83 CYP2D6 (0.44) CCR5CYP2D6LMNAHRH3
SCHEMBL9673866 0.82 CCR5 (0.60) CCR5CYP2D6LMNAMAPK1KDR
SCHEMBL3448194 0.80 GAA (0.61) CCR5CYP2D6LMNAMAPK1KDR
SCHEMBL18250748 0.80 CCR5 (0.58) CCR5CYP2D6LMNAMAPK1KDR
SCHEMBL15341758 0.79 CCR5 (0.46) CCR5CYP2D6LMNA
SCHEMBL15341825 0.79 CCR5 (0.46) CCR5CYP2D6LMNA
SCHEMBL18250718 0.78 GAA (0.64) CCR5CYP2D6LMNAOPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825132-B2 Inhibition of FGFR3 and treatment of multiple myeloma NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-11-02 — — US disclosed
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 — — US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 — — US disclosed
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma CHIRON CORPORATION 2005-11-24 — — US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 — — US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 — — 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 (4 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-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 CCR5 2093/4885CYP2D6 4651/4885LMNA 814/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 CCR5 2278/4885CYP2D6 4838/4885LMNA 3839/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 CCR5 4653/4885CYP2D6 199/4885LMNA 1957/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 CCR5 2231/4885CYP2D6 1660/4885LMNA 2894/4885

“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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