SCHEMBL16776420

SCHEMBL16776420

C[C@@H]1CCNc2ccc(-c3cncc(F)c3)nc2N1C(=O)Nc1cccc(-c2cnco2)n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 3/20 0.34
▸ BRAF P15056 1/20 0.33
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 2/20 0.33
▸ SLC5A1 P13866 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ DYRK1A Q13627 7/20 0.32
▸ GSK3B P49841 5/20 0.32
▸ WNT1 P04628 4/20 0.32
▸ ADORA2B P29275 2/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ CTPS1 P17812 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ABL1 P00519 1/20 0.31

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
SCHEMBL16776407 0.88 CREBBP (0.44) PIM1BRAFBRD4CREBBPSLC5A1
SCHEMBL16776413 0.88 DYRK1A (0.41) DYRK1AGSK3BWNT1
SCHEMBL16776404 0.87 BRD4 (0.36) BRAFBRD4CREBBPDYRK1AGSK3B
SCHEMBL16776296 0.87 RHOA (0.36) BRAFBRD4CREBBPSLC5A1ADORA2A
SCHEMBL16776403 0.85 MTOR (0.35) PIM1BRAFBRD4CREBBPHTR1A
SCHEMBL19670434 0.85 DYRK1A (0.34) BRAFHTR1ADYRK1AGSK3BWNT1
SCHEMBL17618866 0.79 HTR1A (0.34) BRAFHTR1ADYRK1AGSK3BWNT1
SCHEMBL16776168 0.78 DYRK1A (0.38) DYRK1AGSK3BWNT1CYP3A4ABL1
SCHEMBL16776048 0.78 ABL1 (0.35) CYP1A2CYP3A4CYP2C9ABL1
SCHEMBL16776050 0.77 PRMT5 (0.38) PIM1DYRK1AGSK3BABL1

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
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 PIM1 2799/4885BRAF 3419/4885BRD4 180/4885

“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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