SCHEMBL16776228

SCHEMBL16776228

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccc4c(cnn4C)c2)[C@H](C)CCN3)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.38
▸ MLLT1 Q03111 7/20 0.37
▸ MAOB P27338 2/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ MAOA P21397 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ WNT3A P56704 3/20 0.36
▸ MLLT3 P42568 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SYK P43405 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ PTGER3 P43115 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
SCHEMBL16775894 0.85 FYN (0.37) NOTUMMLLT1MAOBMAOAACHE
SCHEMBL16776231 0.82 ABL1 (0.38) WNT3AMAPK1
SCHEMBL16776015 0.79 MAPK1 (0.42) WNT3AMAPK1
SCHEMBL17618728 0.79 NOTUM (0.38) NOTUMMLLT1MAOBMAOAACHE
SCHEMBL16776203 0.79 ABL1 (0.36) WNT3AMAPK1
SCHEMBL16776425 0.78 BRD4 (0.35) WNT3AMAPT
SCHEMBL16776233 0.78 DYRK1A (0.34) WNT3AMAPK1
SCHEMBL16776028 0.76 FGFR4 (0.38) WNT3AMAPK1
SCHEMBL16776284 0.76 ABL1 (0.36) WNT3AMAPK1
SCHEMBL19364861 0.75 NOTUM (0.40) NOTUMMLLT1MAOBLRRK2MAOA

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 NOTUM 3260/4885MLLT1 2129/4885MAOB 985/4885

“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.

Send feedback