SCHEMBL5262403

SCHEMBL5262403

CCCCOCCCN[C]=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 3/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3015883 0.94 TSHR (0.41) TSHRCYP3A4ALDH1A1HPGDMAPT
SCHEMBL3135663 0.92 HTT (0.45) ALDH1A1MAPTMEN1THRBHTT
SCHEMBL8361116 0.92 HTT (0.45) ALDH1A1MAPTMEN1THRBHTT
SCHEMBL6006511 0.92 HTT (0.41) TSHRCYP3A4ALDH1A1HPGDMAPT
SCHEMBL8957782 0.92 HTT (0.45) ALDH1A1MAPTMEN1THRBHTT
SCHEMBL3027599 0.91 TSHR (0.34) TSHRCYP3A4ALDH1A1HPGDMAPT
SCHEMBL3032500 0.88 HTT (0.45) MAPTMEN1THRBHTTKMT2A
SCHEMBL3033433 0.88 HTT (0.45) MAPTMEN1THRBHTTKMT2A
SCHEMBL27877265 0.85 EPHX2 (0.38) TSHRCYP3A4ALDH1A1MAPTMEN1
SCHEMBL5646933 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268444-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2007-01-17 EP claimed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US claimed
JP-2003525278-A 2003-08-26 JP claimed
US-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-08-07 US claimed
EP-1268444-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-02 EP claimed
WO-2001064655-A1 2, 4-DI(HETERO-)ARYLAMINO (-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO claimed
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US claimed
EP-1268444-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2007-01-17 EP disclosed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US disclosed
US-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-08-07 US disclosed
EP-0318759-B1 MULTILAYERED ELECTROPHOTOGRAPHICAL RECORDING MATERIAL BASF Aktiengesellschaft (DE) 1993-01-27 EP disclosed
US-5162293-A Cyan Dyes KONICA CORPORATION (JP) 1992-11-10 US disclosed
US-5069991-A NAPHTHOLACTAM OR ISINDOLENINE DYE BASF AKTIENGESELLSCHAFT (DE) 1991-12-03 US disclosed
EP-0364890-A2 Panchromatic electrophotographical recording element BASF Aktiengesellschaft (DE) 1990-04-25 EP disclosed
US-4880718-A AS PHOTOSENSITIZERS AND CHARGE GENERATING COMPOUNDS; OFFSET PRINTING PLATES, COPIERS, PHOTORESISTS MADE USING LASERS; HIGH CONTRAST AND VOLTAGE BASF AKTIENGESELLSCHAFT (DE) 1989-11-14 US disclosed
EP-0318759-A1 Multilayered electrophotographical recording material BASF Aktiengesellschaft (DE) 1989-06-07 EP disclosed
US-4373102-A Isoindoline dyes, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1983-02-08 US disclosed
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
EP-0017132-B1 DYESTUFFS, THEIR PREPARATION AND UTILISATION BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
EP-0017132-A1 Dyestuffs, their preparation and utilisation BASF Aktiengesellschaft (DE) 1980-10-15 EP 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 (1 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-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 TSHR 3313/4885CYP3A4 1333/4885ALDH1A1 1485/4885

“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.