SCHEMBL2798618

SCHEMBL2798618

c1cc2[nH]ncc2cc1N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.59
▸ CYP2D6 P10635 7/20 0.55
▸ SLC6A2 P23975 7/20 0.55
▸ SLC6A4 P31645 7/20 0.55
▸ SLC6A3 Q01959 7/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ ROCK2 O75116 10/20 0.54
▸ HTR3E A5X5Y0 1/20 0.54
▸ HTR3B O95264 1/20 0.54
▸ HTR3A P46098 1/20 0.54
▸ HTR5A P47898 1/20 0.54
▸ HTR3D Q70Z44 1/20 0.54
▸ HTR3C Q8WXA8 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ ROCK1 Q13464 5/20 0.54
▸ PKN2 Q16513 1/20 0.53

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
Hydrochloric Acid SCHEMBL22412381 0.98 CDC7 (0.58) CDC7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL29539832 0.87 PDGFRB (0.55) CDC7ROCK2HTR3EHTR3BHTR3A
SCHEMBL2799745 0.87 PDGFRB (0.55) CDC7ROCK2HTR3EHTR3BHTR3A
SCHEMBL15515501 0.87 CYP3A4 (0.58) CYP3A4ROCK2ROCK1
SCHEMBL24172739 0.87 CYP3A4 (0.58) CYP2D6SLC6A2SLC6A4SLC6A3CYP3A4
Tert-Butyl Formate SCHEMBL27665780 0.85 CDC7 (0.50) CDC7CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL5412781 0.83 PLK4 (0.56) CYP2D6SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL5823182 0.80 CYP3A4 (0.55) CYP2D6SLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL30905935 0.79 HTR3E (0.49) CDC7CYP2D6SLC6A4CYP3A4HTR3E
SCHEMBL24421947 0.79 CYP3A4 (0.57) CYP2D6SLC6A2SLC6A4SLC6A3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 — — US disclosed
EP-3575294-A1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS Les Laboratoires Servier (FR) 2019-12-04 — — EP disclosed
EP-3237406-B1 5-[(PIPERAZIN-1-YL)-3-OXO-PROPYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES AS ADAMTS INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS GALAPAGOS NV (BE) 2019-02-06 — — EP disclosed
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2016-06-02 — — US disclosed
US-9096614-B2 Therapeutically active thiazolo-pyrimidine derivatives UCB PHARMA SA (BE) 2015-08-04 — — US disclosed
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives UCB PHARMA SA (BE) 2014-10-23 — — 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
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 — — 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
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 — — US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 — — EP 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 (7 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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor MIF, MMP12, SLC11A2 CDC7 2568/4885CYP2D6 1675/4885SLC6A2 518/4885
US-20100168123-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CDC7 64/4885CYP2D6 3575/4885SLC6A2 4631/4885
US-20140315885-A1 Therapeutically Active Thiazolo-Pyrimidine Derivatives TPMT, IFNG, IRF3 CDC7 1951/4885CYP2D6 425/4885SLC6A2 2510/4885
US-20140148436-A1 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CDC7 64/4885CYP2D6 3575/4885SLC6A2 4631/4885
US-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA CDC7 754/4885CYP2D6 3216/4885SLC6A2 3892/4885
US-20160152576-A9 AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT3 CDC7 64/4885CYP2D6 3575/4885SLC6A2 4631/4885
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 CDC7 101/4885CYP2D6 4499/4885SLC6A2 4796/4885

“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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