SCHEMBL683289

SCHEMBL683289

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 0.49
GABBR1 Q9UBS5 6/20 0.49
CYP2C9 P11712 4/20 0.49
LMNA P02545 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2D6 P10635 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 2/20 0.49
THRB P10828 2/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
NFKB1 P19838 1/20 0.49
DRD3 P35462 1/20 0.49
BLM P54132 1/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 1/20 0.44
PMP22 Q01453 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL27847411 0.85 GABBR2 (0.55) GABBR2GABBR1CYP2C9LMNACYP2C19
SCHEMBL12219418 0.82 HTR2A (0.43) KMT2ACYP1A2SMN1; SMN2
SCHEMBL18559835 0.81 GABBR2 (0.47) GABBR2GABBR1LMNACYP2C19CYP1A2
SCHEMBL8217885 0.81 BRD4 (0.53) GABBR2GABBR1CYP2C9LMNACYP2C19
SCHEMBL684414 0.81 SLC6A2 (0.49) LMNACYP3A4SMN1; SMN2ROCK2
SCHEMBL12219420 0.81 SLC6A2 (0.49) LMNACYP3A4SMN1; SMN2ROCK2
SCHEMBL13025499 0.81 CYP2C9 (0.46) GABBR2GABBR1CYP2C9LMNACYP2C19
SCHEMBL31344403 0.79 GABBR2 (0.58) GABBR2GABBR1CYP2C9LMNACYP2C19
SCHEMBL10255978 0.79 GABBR2 (0.53) GABBR2GABBR1CYP2C9LMNACYP2C19
SCHEMBL5860866 0.79 GABBR2 (0.58) GABBR2GABBR1CYP2C9LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 US disclosed
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-12-27 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
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2011-11-03 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
EP-2049546-B1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2010-12-29 EP disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 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 (5 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 GABBR2 4578/4885GABBR1 4438/4885CYP2C9 1909/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GABBR2 4051/4885GABBR1 3813/4885CYP2C9 1373/4885
US-20110269773-A1 DIHYDROFURO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DPYD, PIK3CA, DTYMK GABBR2 4167/4885GABBR1 3902/4885CYP2C9 2853/4885
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GABBR2 4051/4885GABBR1 3813/4885CYP2C9 1373/4885
US-20120329808-A1 DIHYDROTHIENO PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS DTYMK, TK1, PIK3CA GABBR2 4578/4885GABBR1 4442/4885CYP2C9 3256/4885

“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.