SCHEMBL17778888

SCHEMBL17778888

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(N4CCCC4)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ WNT3A P56704 2/20 0.37
▸ ABL1 P00519 3/20 0.36
▸ MAPK1 P28482 7/20 0.36
▸ BTK Q06187 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ TP53BP1 Q12888 1/20 0.35
▸ MAP3K12 Q12852 2/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ MTOR P42345 1/20 0.34

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
SCHEMBL19689792 0.93 PSEN1 (0.41) MAPK1JAK2MTOR
SCHEMBL19706795 0.93 PSEN1 (0.41) MAPK1JAK2MTOR
SCHEMBL19689656 0.91 WNT3A (0.43) PIM1PIM2WNT3AABL1MAPK1
SCHEMBL19706688 0.91 WNT3A (0.43) PIM1PIM2WNT3AABL1MAPK1
SCHEMBL16754282 0.90 KARS1 (0.40) WNT3AABL1MAPK1MAP3K12MTOR
SCHEMBL17778323 0.90 KARS1 (0.40) WNT3AABL1MAPK1MAP3K12MTOR
SCHEMBL19689652 0.89 MAPK1 (0.39) PIM1PIM2WNT3AABL1MAPK1
SCHEMBL17778673 0.89 MAPK1 (0.39) PIM1PIM2WNT3AABL1MAPK1
SCHEMBL19689817 0.89 WNT3A (0.36) PIM1PIM2WNT3AABL1MAPK1
SCHEMBL17768095 0.88 ABL1 (0.37) WNT3AABL1MAPK1MTOR

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 4 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
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 PIM1 2934/4885PIM2 3575/4885WNT3A 4482/4885

“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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