SCHEMBL680150

SCHEMBL680150

C=C(C(C)C)[C@H](CN)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.43
ALOX5 P09917 1/20 0.41
CYP1A2 P05177 1/20 0.38
EPHX1 P07099 2/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CYP2C19 P33261 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
SCHEMBL680223 0.86 ALOX5 (0.42) HTR2AALOX5CYP1A2EPHX1KMT2A
SCHEMBL12194482 0.82 GABBR2 (0.45) CYP1A2KMT2ASMN1; SMN2CYP2C19
SCHEMBL681258 0.82 ALOX5 (0.45) HTR2AALOX5CYP1A2EPHX1KMT2A
SCHEMBL12194485 0.78 MAPT (0.43) CYP1A2KMT2ACYP2C19
SCHEMBL681348 0.78 MAPT (0.43) CYP1A2KMT2ACYP2C19
SCHEMBL684580 0.78 CYP1A2 (0.48) HTR2AALOX5CYP1A2EPHX1KMT2A
SCHEMBL680182 0.78 ADRB2 (0.33) KMT2A
SCHEMBL27875090 0.77 HTR2A (0.48) HTR2AALOX5CYP1A2KMT2ACYP2C19
SCHEMBL681624 0.77 PYCR1 (0.40) ALOX5CYP1A2KMT2A
SCHEMBL681415 0.77 CHRM2 (0.43) HTR2AALOX5CYP1A2

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 5 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-8846681-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 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-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-10-06 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 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-20110245230-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 HTR2A 2758/4885ALOX5 2032/4885CYP1A2 999/4885

“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.