SCHEMBL12637674

SCHEMBL12637674

CC(=O)N(CCN)Cc1ccc(Cl)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MC4R P32245 2/20 0.36
▸ MC3R P41968 2/20 0.36
▸ MC5R P33032 2/20 0.36
▸ RIPK1 Q13546 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ GBA1 P04062 1/20 0.34
▸ SLC2A1 P11166 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ GRM3 Q14832 1/20 0.34
▸ CENPE Q02224 1/20 0.34
▸ PPARG P37231 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
SCHEMBL15003280 0.88 PNMT (0.46) ALDH1A1MEN1KMT2ANPSR1MAPT
SCHEMBL10098874 0.87 ROCK1 (0.48) ROCK1ALDH1A1KDM4EMITFHTT
SCHEMBL12575213 0.85 ROCK1 (0.45) ROCK1ALDH1A1KDM4EMITFHTT
SCHEMBL12638769 0.80 ROCK1 (0.51) ROCK1ALDH1A1MEN1KMT2ARIPK1
SCHEMBL12449803 0.80 ALDH1A1 (0.52) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL17513270 0.77 TACR1 (0.38) ROCK1ALDH1A1KDM4EHTTMEN1
SCHEMBL10098876 0.75 TAAR1 (0.47) KMT2AMAPTCYP3A4GBA1
SCHEMBL12449247 0.74 FOLH1 (0.48) ROCK1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15003107 0.74 ALDH1A1 (0.38) ROCK1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL12638771 0.74 TAAR1 (0.46) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150197496-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-07-16 — — US disclosed
EP-2173723-B3 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-19 — — EP disclosed
US-20140315887-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. 2014-10-23 — — US disclosed
US-8846683-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2014-09-30 — — US disclosed
US-20130143865-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS GENENTECH, INC. (US) 2013-06-06 — — US disclosed
US-8377937-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-19 — — US disclosed
US-20110160221-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2011-06-30 — — 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 (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-20150197496-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 ROCK1 446/4885ALDH1A1 2573/4885KDM4E 2756/4885
US-20140315887-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 ROCK1 446/4885ALDH1A1 2573/4885KDM4E 2756/4885
US-20130143865-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 ROCK1 446/4885ALDH1A1 2573/4885KDM4E 2756/4885
US-20110160221-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 ROCK1 446/4885ALDH1A1 2573/4885KDM4E 2756/4885

“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.

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