SCHEMBL3530849

SCHEMBL3530849

Cc1cn(-c2ccc(C(=O)O)cc2C(F)(F)F)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 5/20 0.45
PSEN1 P49768 7/20 0.45
PSEN2 P49810 7/20 0.45
APH1B Q8WW43 7/20 0.45
NCSTN Q92542 7/20 0.45
APH1A Q96BI3 7/20 0.45
PSENEN Q9NZ42 7/20 0.45
TTR P02766 1/20 0.43
ADH5 P11766 1/20 0.43
USP30 Q70CQ3 1/20 0.41
PDE3B Q13370 1/20 0.40
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
LDLR P01130 1/20 0.39
KIT P10721 1/20 0.39
PCSK9 Q8NBP7 1/20 0.39

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
SCHEMBL31003557 0.88 PSEN1 (0.44) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL760545 0.82 USP30 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18165572 0.82 MYC (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL759667 0.81 MYC (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16255769 0.80 NR2E1 (0.44) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL29958875 0.79 PSEN1 (0.52) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL1927286 0.78 NR2E1 (0.52) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL22704434 0.78 NR2E1 (0.43) NR2E1PSEN1PSEN2APH1BNCSTN
SCHEMBL29664762 0.77 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL156019 0.77 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528925-B1 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES HANMI SCIENCE CO LTD (KR) 2017-07-05 EP disclosed
US-8999973-B2 Thieno[3,2-d]pyrimidine derivatives having inhibitory activity on protein kinases HANMI SCIENCE CO., LTD (KR) 2015-04-07 US disclosed
US-20130053370-A1 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES HANMI SCIENCE CO., LTD. (KR) 2013-02-28 US disclosed
US-7655669-B2 Pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2010-02-02 US disclosed
EP-1546127-B1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2007-08-08 EP disclosed
US-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof NOVARTIS AG (CH) 2006-06-29 US disclosed
EP-1546127-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF Novartis AG (CH) 2005-06-29 EP disclosed
WO-2004029038-A1 NOVEL PYRIMIDINEAMIDE DERIVATIVES AND THE USE THEREOF NOVARTIS AG (CH) 2004-04-08 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 (2 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-20060142577-A1 Novel pyrimidineamide derivatives and the use thereof TYMP, NME2, DPYD NR2E1 2847/4885PSEN1 2322/4885PSEN2 1401/4885
US-20130053370-A1 THIENO[3,2-d]PYRIMIDINE DERIVATIVES HAVING INHIBITORY ACTIVITY ON PROTEIN KINASES CDK2, TK1, DTYMK NR2E1 2723/4885PSEN1 3624/4885PSEN2 2422/4885

“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.