SCHEMBL3785925

SCHEMBL3785925

CNc1cc(-c2cc(C)ccn2)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.49
▸ CCR1 P32246 1/20 0.49
▸ CCR5 P51681 1/20 0.49
▸ CCR8 P51685 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TGFBR1 P36897 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PRKD1 Q15139 5/20 0.43
▸ METAP1 P53582 3/20 0.43
▸ ACP1 P24666 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL3782691 0.84 CYP3A4 (0.52) TGFBR1KDM4EMETAP1ACP1CYP3A4
SCHEMBL2714051 0.79 ACHE (0.57) HTR3ACCR1CCR5CCR8SMN1; SMN2
SCHEMBL1238925 0.73 CYP1A2 (0.60) HTR3ASMN1; SMN2LMNAMAPT
SCHEMBL4272819 0.71 SLC2A1 (0.56) HTR3ASMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL7853202 0.70 CCR1 (0.61) CCR1CCR5CCR8
SCHEMBL198098 0.70 CCR1 (0.81) CCR1CCR5CCR8ALDH1A1KDM4E
SCHEMBL181893 0.70 CCR1 (1.00) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL29397106 0.70 CCR1 (1.00) CCR1CCR5CCR8ALDH1A1LMNA
SCHEMBL23052940 0.70 MEN1 (0.59) HTR3ASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL4500702 0.69 HTR1A (0.63) SMN1; SMN2

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-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 — — US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 — — 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 HTR3A 3130/4885CCR1 1153/4885CCR5 1740/4885

“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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