SCHEMBL4574886

SCHEMBL4574886

CCOc1cc(N2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.79
PKM P14618 2/20 0.60
LMNA P02545 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HPGD P15428 2/20 0.58
ALDH1A1 P00352 6/20 0.57
MAPK1 P28482 3/20 0.57
NPSR1 Q6W5P4 1/20 0.56
SIRT6 Q8N6T7 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2C9 P11712 1/20 0.53
POLB P06746 1/20 0.51

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
SCHEMBL12312161 0.90 LMNA (0.65) MAPTPKMLMNASMN1; SMN2HPGD
SCHEMBL3313964 0.86 MAPT (0.81) MAPTLMNAALDH1A1MAPK1SIRT6
SCHEMBL20594902 0.85 MAPT (0.60) MAPTPKMLMNASMN1; SMN2HPGD
SCHEMBL1230074 0.85 ALDH1A1 (0.77) MAPTPKMLMNASMN1; SMN2HPGD
SCHEMBL2060962 0.85 MAPT (0.57) MAPTPKMLMNASMN1; SMN2HPGD
SCHEMBL311195 0.85 MAPT (0.79) MAPTLMNASMN1; SMN2HPGDALDH1A1
SCHEMBL310959 0.85 MAPT (0.79) MAPTLMNAHPGDALDH1A1MAPK1
SCHEMBL1926359 0.84 CYP1A2 (0.60) MAPTPKMLMNASMN1; SMN2HPGD
SCHEMBL311012 0.82 MAPT (0.75) MAPTLMNAHPGDALDH1A1MAPK1
SCHEMBL310281 0.82 MAPT (0.75) MAPTLMNASMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217816-B FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2022-08-16 CN disclosed
CN-111217816-A FLT3 kinase inhibitor and preparation and application thereof 中国科学院上海药物研究所 2020-06-02 CN disclosed
US-8263590-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2012-09-11 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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2011-04-28 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
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
WO-2008056149-A1 QUINAZOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ARROW THERAPEUTICS LIMITED (GB) 2008-05-15 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 (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-20110098280-A1 2,4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS TYMS, TYMP, DPYD MAPT 2197/4885PKM 1442/4885LMNA 3426/4885
US-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD MAPT 2178/4885PKM 1576/4885LMNA 3066/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS MAPT 2574/4885PKM 1254/4885LMNA 3279/4885

“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.