SCHEMBL2522674

SCHEMBL2522674

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
XBP1 P17861 1/20 0.43
NPSR1 Q6W5P4 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ATM Q13315 1/20 0.41
CNR1 P21554 3/20 0.40
POLB P06746 1/20 0.38
AKT1 P31749 1/20 0.38
HTT P42858 1/20 0.36
ADRB2 P07550 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL2522677 0.81 CNR1 (0.41) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL27783636 0.78 CNR1 (0.48) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL2520853 0.78 CNR1 (0.44) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL2516592 0.77 CA1 (0.39) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL14438297 0.70 ADRB2 (0.45) KMT2AMEN1MAPTLMNAGAA
SCHEMBL10874925 0.67 ADRB2 (0.59) KMT2AMEN1MAPTLMNAGAA
SCHEMBL1455728 0.67 TDP1 (0.56) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL632912 0.67 TDP1 (0.56) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL25068845 0.67 CNR1 (0.46) KMT2AMEN1MAPTLMNASMN1; SMN2
SCHEMBL1978757 0.66 SLC6A2 (0.49) KMT2AMEN1CYP3A4CYP2D6CNR1

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 8 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

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 KMT2A 4172/4885MEN1 3499/4885MAPT 3819/4885
US-20130085135-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT3, AKT2 KMT2A 4172/4885MEN1 3499/4885MAPT 3819/4885
US-20110251181-A1 5H-CYCLOPENTA[D]PYRIMIDINES AS AKT PROTEIN KINASE INHIBITORS AKT3, PIK3CA, AKT2 KMT2A 4150/4885MEN1 3565/4885MAPT 3922/4885

“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.