SCHEMBL19689817

SCHEMBL19689817

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-n4ccnn4)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 3/20 0.36
▸ HCRTR1 O43613 5/20 0.34
▸ HCRTR2 O43614 5/20 0.34
▸ MAPK1 P28482 8/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ JAK3 P52333 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 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
SCHEMBL17778888 0.89 PIM1 (0.38) WNT3AMAPK1ABL1MTORPIM1
SCHEMBL16754282 0.87 KARS1 (0.40) WNT3AMAPK1ABL1MTOR
SCHEMBL17778323 0.87 KARS1 (0.40) WNT3AMAPK1ABL1MTOR
SCHEMBL19706795 0.87 PSEN1 (0.41) MAPK1MTOR
SCHEMBL19689792 0.87 PSEN1 (0.41) MAPK1MTOR
SCHEMBL19706688 0.86 WNT3A (0.43) WNT3AMAPK1ABL1MTORPIM1
SCHEMBL19689656 0.86 WNT3A (0.43) WNT3AMAPK1ABL1MTORPIM1
SCHEMBL19689811 0.86 DYRK1A (0.42) WNT3AMAPK1ABL1MTOR
SCHEMBL17778803 0.86 DYRK1A (0.42) WNT3AMAPK1ABL1MTOR
SCHEMBL17768178 0.86 ABL1 (0.37) WNT3AMAPK1ABL1JAK3MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 WNT3A 4482/4885HCRTR1 2444/4885HCRTR2 2914/4885

“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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