SCHEMBL375549

SCHEMBL375549

COc1ccc(-c2ccc(C)c(N)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.53
ABL1 P00519 1/20 0.48
ABCB1 P08183 1/20 0.48
BCR P11274 1/20 0.48
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
ESR2 Q92731 1/20 0.47
TDP1 Q9NUW8 5/20 0.46
MAP4K4 O95819 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 3/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL11555722 0.83 TDP1 (0.61) DYRK1AABL1ABCB1BCRMAPK1
SCHEMBL55593 0.83 ALDH1A1 (0.59) MAPK1SMN1; SMN2TDP1ALDH1A1CYP3A4
SCHEMBL29569367 0.83 ALDH1A1 (0.59) MAPK1SMN1; SMN2TDP1ALDH1A1CYP3A4
SCHEMBL6866139 0.82 CYP3A4 (0.62) MAPK1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL31661348 0.82 CYP3A4 (0.62) MAPK1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL2097981 0.81 DYRK1A (0.55) DYRK1AABL1ABCB1BCRMAPK1
SCHEMBL12312330 0.80 ALDH1A1 (0.68) DYRK1AABL1ABCB1BCRMAPK1
SCHEMBL3466792 0.79 CYP11B1 (0.49) DYRK1AABL1NPC1TP53CASP3
SCHEMBL3790988 0.79 CASP1 (0.65) NPC1TP53RAB9ASMN1; SMN2TDP1
SCHEMBL13115650 0.79 TDP1 (0.65) MAPK1NPC1TP53RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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-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
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-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2006-11-02 US disclosed
EP-1660458-A1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS Novartis AG (CH) 2006-05-31 EP disclosed
EP-1606265-A1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS Novartis AG (CH) 2005-12-21 EP disclosed
WO-2005016894-A1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2005-02-24 WO disclosed
WO-2004080980-A1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2004-09-23 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-20080132504-A1 2, 4-Pyrimidinediamines Useful In The Treatment Of Neoplastic Diseases, Inflammatory And Immune System Disorders TYMS, TYMP, DPYD DYRK1A 3445/4885ABL1 1246/4885ABCB1 399/4885
US-20110201606-A1 PYRIMIDINE DERIVATIVES DPYD, TYMP, TYMS DYRK1A 2514/4885ABL1 751/4885ABCB1 85/4885
US-20060247241-A1 2,4-Di (phenylamino) pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders TYMS, UMPS, TYMP DYRK1A 2772/4885ABL1 1755/4885ABCB1 315/4885

“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.