SCHEMBL1640504

SCHEMBL1640504

Cn1nccc1-c1cnc(C(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.39
ITGA2 P17301 1/20 0.39
CTSA P10619 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
COMT P21964 1/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
APOBEC3A P31941 1/20 0.36
PORCN Q9H237 3/20 0.36
HDAC8 Q9BY41 4/20 0.35
SLC13A5 Q86YT5 1/20 0.35
ABL1 P00519 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 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
SCHEMBL12766572 0.84 KMT2A (0.40) ITGB1ITGA2CTSAALDH1A1KDM4E
SCHEMBL1641514 0.80 ALDH1A1 (0.46) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL1529509 0.76 KDM4E (0.47) ITGB1ITGA2ALDH1A1KDM4ENPC1
SCHEMBL24956340 0.74 COMT (0.39) ITGB1ITGA2CTSAALDH1A1KDM4E
SCHEMBL1539528 0.74 HCAR2 (0.45) CTSAALDH1A1KDM4ENPC1LMNA
SCHEMBL3330957 0.71 PORCN (0.42) CTSAALDH1A1KDM4ECOMTPOLB
SCHEMBL12766571 0.71 AHR (0.40) ALDH1A1KDM4ENPC1LMNARAB9A
SCHEMBL937627 0.71 DAO (0.42) ITGB1ITGA2CTSAALDH1A1MAPT
SCHEMBL1682702 0.71 CTSA (0.38) CTSAALDH1A1KDM4ENPC1LMNA
SCHEMBL1539536 0.69 CYP11B1 (0.42) ALDH1A1KDM4ENPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098221-A1 INHIBITORS OF Akt ACTIVITY GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-20110098221-A1 INHIBITORS OF Akt ACTIVITY GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
US-20110098221-A1 INHIBITORS OF Akt ACTIVITY GLAXOSMITHKLINE LLC 2011-04-28 US disclosed
EP-2303277-A1 INHIBITORS OF AKT ACTIVITY GlaxoSmithKline LLC (US) 2011-04-06 EP disclosed
WO-2009158373-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 WO disclosed
WO-2009158373-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 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-20110098221-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, PIK3CA ITGB1 3624/4885ITGA2 4243/4885CTSA 2431/4885

“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.