SCHEMBL2800737

SCHEMBL2800737

COc1ccc(CN2CC(C)c3c(Cl)ncnc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
GRM2 Q14416 1/20 0.43
MMP1 P03956 1/20 0.38
MMP13 P45452 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
PDE10A Q9Y233 1/20 0.37
KIT P10721 1/20 0.37
DRD4 P21917 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
MEN1 O00255 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
SCHEMBL12480539 0.82 GRM2 (0.43) SMN1; SMN2ALDH1A1LMNAGRM2MMP1
SCHEMBL12480535 0.82 GRM2 (0.43) SMN1; SMN2ALDH1A1LMNAGRM2MMP1
SCHEMBL12480241 0.82 GRM2 (0.43) SMN1; SMN2ALDH1A1LMNAGRM2MMP1
SCHEMBL2798499 0.75 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LMNAGAASIGMAR1
SCHEMBL27810603 0.74 GRM2 (0.42) ALDH1A1LMNAGRM2MMP1MMP13
SCHEMBL20061327 0.71 GAA (0.50) SMN1; SMN2ALDH1A1LMNAGRM2GAA
SCHEMBL20061443 0.70 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1LMNAGRM2GAA
SCHEMBL20061523 0.69 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1LMNAGRM2MMP1
SCHEMBL20061521 0.69 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAGRM2GAA
SCHEMBL20061519 0.68 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1LMNAGRM2GAA

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
CN-117157297-A PRMT5 inhibitors 上海齐鲁制药研究中心有限公司 2023-12-01 CN disclosed
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 US disclosed
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2014-05-29 US disclosed
US-8680114-B2 AKT protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-03-25 US disclosed
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2010-07-01 US disclosed
EP-1684694-A2 AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2006-08-02 EP disclosed
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline ARRAY BIOPHARMA INC. 2005-06-16 US disclosed
WO-2005051304-A2 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-06-09 WO 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 (4 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-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 SMN1; SMN2 4250/4885ALDH1A1 3849/4885LMNA 1430/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 SMN1; SMN2 4250/4885ALDH1A1 3849/4885LMNA 1430/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 SMN1; SMN2 4250/4885ALDH1A1 3849/4885LMNA 1430/4885
US-20050130954-A1 Serine/threonine protein kinase inhibitors; hyperproliferative disorder or inflammatory conditions; e.g. 4-(4-(2-amino-3-(p-chlorophenyl)-propionyl)-piperazin-1-yl)-quinazoline MTOR, CDK2, CLK2 SMN1; SMN2 4501/4885ALDH1A1 3868/4885LMNA 1761/4885

“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.