SCHEMBL2034730

SCHEMBL2034730

CC(C)C(c1cccc(N)c1)(C(C)C)P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PGK1 P00558 3/20 0.41
PGK2 P07205 3/20 0.41
PTPN5 P54829 6/20 0.39
PTGS1 P23219 2/20 0.36
PBRM1 Q86U86 1/20 0.36
PTPN1 P18031 2/20 0.36
CYP3A4 P08684 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 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
SCHEMBL11763957 0.75 PTPN1 (0.52) PGK1PGK2PTPN5PTPN1CYP3A4
SCHEMBL6665779 0.75 TSHR (0.48) TSHRMAPK1PGK1PGK2PTPN5
SCHEMBL2032609 0.75 PTPRC (0.65) TSHRNPC1LMNA
SCHEMBL2031911 0.73 TSHR (0.43) TSHRMAPK1PGK1PGK2PTPN5
SCHEMBL22658229 0.72 TSHR (0.48) TSHRMAPK1PTGS1PBRM1CYP3A4
SCHEMBL29408283 0.69 TSHR (0.61) TSHRMAPK1PTGS1CYP3A4CASP1
SCHEMBL22669475 0.69 TSHR (0.61) TSHRMAPK1PTGS1CYP3A4CASP1
SCHEMBL11760562 0.69 PTPN1 (0.45) PTPN5PTPN1CYP3A4
Phosphoric Acid SCHEMBL28075580 0.69 CYP3A4 (0.67) TSHRPBRM1CYP3A4CASP1RECQL
SCHEMBL11764974 0.68 CDC14B (0.39) PGK1PGK2PTPN5PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399433-B2 Amino pyrimidine anticancer compounds OSI Pharmaceuticals, LLC (US) 2013-03-19 US disclosed
US-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS OSI PHARMACEUTICALS, INC. (US) 2011-06-09 US 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-20110136764-A1 AMINO PYRIMIDINE ANTICANCER COMPOUNDS DPYD, PTK2, TYMS TSHR 4171/4885MAPK1 290/4885PGK1 240/4885

“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.