SCHEMBL16775993

SCHEMBL16775993

C[C@@H]1CCNc2ccc(-c3cccc(N4CCCC4)c3)nc2N1C(=O)Nc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.43
▸ BCR P11274 2/20 0.43
▸ RPS6KA3 P51812 3/20 0.41
▸ RPS6KA2 Q15349 1/20 0.41
▸ HTR1A P08908 3/20 0.40
▸ DRD2 P14416 3/20 0.40
▸ PRKCI P41743 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ CAMK2D Q13557 2/20 0.38
▸ KARS1 Q15046 1/20 0.38
▸ TEK Q02763 1/20 0.37
▸ BTK Q06187 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL16776270 0.95 ABL1 (0.42) ABL1BCRRPS6KA3RPS6KA2HTR1A
SCHEMBL16776055 0.88 KARS1 (0.49) ABL1BCRHTR1APRKCIJAK2
SCHEMBL19365744 0.86 ABL1 (0.43) ABL1BCRHTR1ADRD2JAK2
SCHEMBL16775982 0.85 CACNA1G (0.43) ABL1BCRRPS6KA3RPS6KA2TEK
SCHEMBL16776187 0.85 RPS6KA3 (0.41) ABL1BCRRPS6KA3RPS6KA2MAPKAPK2
SCHEMBL19670393 0.84 ABL1 (0.42) ABL1BCRHTR1ADRD2JAK2
SCHEMBL16775986 0.83 SLC27A1 (0.36) ABL1BCRHTR1APRKCIJAK2
SCHEMBL16785576 0.82 HTR2A (0.41) RPS6KA3RPS6KA2MAPTSMN1; SMN2KIT
SCHEMBL16776271 0.82 RPS6KA3 (0.40) RPS6KA3RPS6KA2HTR1ADRD2MAPT
SCHEMBL16775987 0.82 KARS1 (0.36) ABL1BCRHTR1APRKCIJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885BCR 3239/4885RPS6KA3 2368/4885

“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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