SCHEMBL2034098

SCHEMBL2034098

CP(C)(=O)Cc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FDPS P14324 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
MAOB P27338 4/20 0.39
MAOA P21397 2/20 0.39
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ANPEP P15144 1/20 0.38
ERAP2 Q6P179 1/20 0.38
RECQL P46063 1/20 0.38
ACHE P22303 1/20 0.36
EPHX2 P34913 1/20 0.36
GAA P10253 1/20 0.35
CYP19A1 P11511 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL2637414 0.82 FDPS (0.52) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL12891214 0.78 HPGD (0.48) CYP3A4TSHRTDP1MAPTMEN1
SCHEMBL13536644 0.78 SMN1; SMN2 (0.48) ALDH1A1TSHRTDP1
SCHEMBL12016977 0.77 IDO1 (0.45) ALDH1A1MEN1KMT2AACHELMNA
SCHEMBL2033357 0.77 FDPS (0.42) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL29620063 0.77 GFER (0.54) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL532694 0.76 PGK1 (0.55) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL13534944 0.76 TSHR (0.40) TSHREPHX2
SCHEMBL10910361 0.76 ESR1 (0.46) ALDH1A1
SCHEMBL12267853 0.76 TAAR1 (0.40) ALDH1A1MEN1KMT2A

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
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
EP-2438056-B1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS LLC (US) 2017-12-20 EP disclosed
US-9096624-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2015-08-04 US disclosed
US-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2013-09-05 US disclosed
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
EP-2438056-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI Pharmaceuticals, LLC (US) 2012-04-11 EP disclosed
US-20120013966-A1 ELECTROCHROMIC MATERIAL AND ELECTROCHROMIC DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2012-01-19 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US disclosed
WO-2010141406-A2 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2010-12-09 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 (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-20130231306-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS GFER 4315/4885ALDH1A1 1117/4885CYP3A4 3332/4885
US-20120013966-A1 ELECTROCHROMIC MATERIAL AND ELECTROCHROMIC DEVICE INCLUDING THE SAME EPX, EPN1, HCN2 GFER 2917/4885ALDH1A1 626/4885CYP3A4 1402/4885
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS GFER 4315/4885ALDH1A1 1117/4885CYP3A4 3332/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 GFER 4570/4885ALDH1A1 4677/4885CYP3A4 3229/4885

“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.