SCHEMBL681177

SCHEMBL681177

C=C(C(CN[C@H](C)[C@@H](O)c1ccccc1)c1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.56
CYP2C19 P33261 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 6/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP2C9 P11712 2/20 0.49
SLC6A4 P31645 7/20 0.49
SLC6A2 P23975 6/20 0.49
SLC6A3 Q01959 6/20 0.49
MAPK1 P28482 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA1A P35348 1/20 0.42
RGS12 O14924 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL12102359 0.86 CYP2D6 (0.55) CYP2D6CYP2C19CYP1A2CYP3A4MEN1
SCHEMBL12194480 0.86 CYP2D6 (0.58) CYP2D6CYP2C19CYP1A2CYP3A4MEN1
SCHEMBL8228212 0.82 CYP2D6 (0.59) CYP2D6CYP2C19CYP1A2CYP3A4MEN1
SCHEMBL680703 0.81 CYP2D6 (0.58) CYP2D6CYP2C19CYP1A2CYP3A4MEN1
SCHEMBL12104064 0.80 CYP2D6 (0.56) CYP2D6CYP2C19CYP1A2CYP3A4MEN1
SCHEMBL681280 0.74 LMNA (0.35) CYP2C19MEN1KMT2ACYP2C9SLC6A4
SCHEMBL5269433 0.74 CYP1A2 (0.86) CYP2D6CYP2C19CYP1A2CYP3A4MEN1
SCHEMBL681182 0.71 KDM4E (0.35) CYP2D6CYP1A2SLC6A4SLC6A2SLC6A3
SCHEMBL681137 0.71 ADRB2 (0.42) CYP2D6CYP2C19CYP1A2CYP3A4MEN1
Hydrochloric Acid SCHEMBL30527158 0.71 KMT2A (0.61) CYP2D6CYP2C19CYP1A2CYP3A4MEN1

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-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2015-07-09 US disclosed
US-8329701-B2 Dihydrofuro pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-11 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 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-20150191479-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, DTYMK, PIK3CA CYP2D6 1695/4885CYP2C19 2647/4885CYP1A2 3349/4885

“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.