SCHEMBL1911897

SCHEMBL1911897

COc1cc(N2CCC(O)CC2)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.47
▸ NTSR1 P30989 1/20 0.44
▸ SUV39H2 Q9H5I1 2/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ PDE7A Q13946 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ TTK P33981 1/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ INSR P06213 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ DCLK1 O15075 1/20 0.41
▸ MAPK7 Q13164 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.41

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
SCHEMBL1911867 0.91 DPP4 (0.51) DPP4NTSR1SUV39H2PDE7A
SCHEMBL1911887 0.88 DPP4 (0.47) DPP4NTSR1SUV39H2CHEK1PDE7A
SCHEMBL12862355 0.86 DPP4 (0.48) DPP4ALDH1A1KDM4EMAPTLMNA
SCHEMBL1911855 0.84 DPP4 (0.53) DPP4SUV39H2PDE7AALDH1A1MAPT
SCHEMBL1912001 0.84 DPP4 (0.47) DPP4NTSR1ALDH1A1MAPTLMNA
SCHEMBL1912064 0.84 SUV39H2 (0.47) DPP4SUV39H2PDE7AALDH1A1MAPT
SCHEMBL24992438 0.83 NTSR1 (0.43) DPP4NTSR1SUV39H2CHEK1PDE7A
SCHEMBL3345453 0.83 NTSR1 (0.43) DPP4NTSR1SUV39H2CHEK1PDE7A
SCHEMBL30682434 0.83 NTSR1 (0.43) DPP4NTSR1SUV39H2CHEK1PDE7A
SCHEMBL310068 0.83 NTSR1 (0.43) DPP4NTSR1SUV39H2CHEK1PDE7A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018075608-A1 PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DCLK1/2-MEDIATED DISORDERS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-26 — — WO disclosed
EP-2275413-B1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-03-06 — — EP disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 — — US disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 — — US disclosed
EP-1660458-B1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2012-01-25 — — EP disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 — — US disclosed
US-20110201606-A1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-08-18 — — US disclosed
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 — — US disclosed
US-7964592-B2 2,4-di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2011-06-21 — — US disclosed
EP-1784399-B1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-06-15 — — EP disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 — — US disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 — — US disclosed
EP-1606265-B1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-02-02 — — EP disclosed
EP-2275413-A1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders. Novartis AG (CH) 2011-01-19 — — EP disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 — — US disclosed
US-20090131436-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2009-05-21 — — US disclosed
US-20080293708-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2008-11-27 — — US disclosed
US-20080293708-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2008-11-27 — — US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 — — US disclosed
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2008-06-05 — — 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-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD DPP4 1899/4885NTSR1 3842/4885SUV39H2 3074/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS DPP4 904/4885NTSR1 4591/4885SUV39H2 2765/4885
US-20080293708-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS DPP4 904/4885NTSR1 4591/4885SUV39H2 2765/4885
US-20090131436-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS DPP4 700/4885NTSR1 4333/4885SUV39H2 2602/4885

“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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