SCHEMBL4373663

SCHEMBL4373663

Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc(N)c(N)cc3-c3ccccc3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.75
AKT2 P31751 14/20 0.75
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
AKT3 Q9Y243 1/20 0.49
CYP2D6 P10635 1/20 0.48
CCR5 P51681 1/20 0.48

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
SCHEMBL4381015 0.88 AKT1 (0.68) AKT1AKT2LMNATSHRAKT3
SCHEMBL4371239 0.86 AKT1 (0.73) AKT1AKT2LMNATSHRCYP2D6
SCHEMBL3893832 0.86 AKT1 (1.00) AKT1AKT2
SCHEMBL5310128 0.83 AKT1 (0.72) AKT1AKT2LMNATSHRAKT3
SCHEMBL1938180 0.83 AKT1 (0.65) AKT1AKT2LMNATSHRAKT3
SCHEMBL1939083 0.83 AKT1 (0.74) AKT1AKT2LMNATSHRAKT3
SCHEMBL4371234 0.82 AKT1 (0.68) AKT1AKT2LMNATSHRAKT3
SCHEMBL4374550 0.82 AKT1 (0.65) AKT1AKT2AKT3
SCHEMBL4386805 0.82 AKT1 (0.70) AKT1AKT2AKT3
SCHEMBL1940089 0.81 AKT1 (1.00) AKT1AKT2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638530-B2 1-{1-[4-(3-amino-5-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; anticarcinogenic agents MERCK & CO., INC. (US) 2009-12-29 US disclosed
US-7638530-B2 1-{1-[4-(3-amino-5-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; anticarcinogenic agents MERCK & CO., INC. (US) 2009-12-29 US disclosed
US-7638530-B2 1-{1-[4-(3-amino-5-phenyl-1H-pyrazolo[3,4-b]pyridin-6-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; anticarcinogenic agents MERCK & CO., INC. (US) 2009-12-29 US disclosed
EP-1620095-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-04-01 EP disclosed
US-20060205765-A1 Inhibitors of akt activity MERCK & CO., INC. (US) 2006-09-14 US disclosed
EP-1620095-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2006-02-01 EP disclosed
WO-2004096130-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2004-11-11 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-20060205765-A1 Inhibitors of akt activity AKT1, AKT2, PIK3CA AKT1 1/4885AKT2 2/4885LMNA 4395/4885

“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.