SCHEMBL2520853

SCHEMBL2520853

NCC(Nc1ccc(Br)cc1)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.44
KMT2A Q03164 9/20 0.41
MEN1 O00255 7/20 0.41
POLB P06746 1/20 0.41
HTR2A P28223 1/20 0.41
LMNA P02545 6/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 2/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 2/20 0.38
CYP2C9 P11712 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
ATM Q13315 1/20 0.36
PIK3CA P42336 1/20 0.36

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
SCHEMBL27783636 0.83 CNR1 (0.48) CNR1KMT2AMEN1POLBLMNA
SCHEMBL8790210 0.83 MAPT (0.56) KMT2AMEN1HTR2ALMNAMAPT
Ammonia Solution, Strong SCHEMBL2522677 0.80 CNR1 (0.41) CNR1KMT2AMEN1POLBLMNA
SCHEMBL2522674 0.78 KMT2A (0.43) CNR1KMT2AMEN1POLBLMNA
SCHEMBL8351933 0.78 CNR1 (0.45) CNR1KMT2AMEN1POLBHTR2A
SCHEMBL11607361 0.71 ADRB2 (0.45) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL2521895 0.70 ALDH1A1 (0.53) CNR1KMT2AMEN1POLBLMNA
SCHEMBL11196790 0.70 HTR2A (0.49) CNR1KMT2AHTR2ALMNAMAPT
SCHEMBL28305748 0.70 ALDH1A1 (0.53) CNR1KMT2AMEN1POLBLMNA
SCHEMBL7093029 0.69 TAAR1 (0.50) HTR2ALMNAMAPTGAANPSR1

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-9328091-B2 5H-cyclopenta[d]pyrimidines as AKT protein kinase inhibitors GENENTECH, INC. (US) 2016-05-03 US disclosed
US-20150266852-A1 5H-CYCLOPENTA[d]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2015-09-24 US disclosed
CN-104876921-A 5H-cyclopenta[d]pyrimidines As AKT Protein Kinase Inhibitors ARRAY BIOPHARMA INC 2015-09-02 CN disclosed
US-8895566-B2 5H-cyclopenta[d]pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2014-11-25 US disclosed
EP-2250155-B1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-20130085135-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2013-04-04 US disclosed
US-8329709-B2 5H-cyclopenta[D]pyrimidines as AKT protein kinase inhibitors GENENTECH, INC. (US) 2012-12-11 US disclosed
US-20110251181-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2011-10-13 US disclosed
CN-101970415-A 5H-cyclopenta [ d ] pyrimidines as AKT protein kinase inhibitors ARRAY BIOPHARMA INC 2011-02-09 CN 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 (3 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-20150266852-A1 5H-CYCLOPENTA[d]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT3, AKT2 CNR1 3210/4885KMT2A 4172/4885MEN1 3499/4885
US-20130085135-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT3, AKT2 CNR1 3210/4885KMT2A 4172/4885MEN1 3499/4885
US-20110251181-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS AKT3, PIK3CA, AKT2 CNR1 3036/4885KMT2A 4150/4885MEN1 3565/4885

“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.