SCHEMBL2029360

SCHEMBL2029360

CCOC(CC)(c1ccc(N)cc1)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 2/20 0.42
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 4/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAOA P21397 1/20 0.39
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PGK1 P00558 1/20 0.33
▸ PGK2 P07205 1/20 0.33
▸ ESRRG P62508 1/20 0.33
▸ PPIB P23284 1/20 0.33

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
SCHEMBL2032900 0.78 ALDH1A1 (0.50) NPC1RAB9AMAPTLMNACYP3A4
SCHEMBL2030830 0.75 FDPS (0.47) FDPSNPC1RAB9AMAPTLMNA
SCHEMBL10964362 0.71 PGK1 (0.40) SMN1; SMN2PGK1PGK2PTPN1
SCHEMBL27496872 0.69 NPC1 (0.46) FDPSNPC1RAB9AMAPTLMNA
SCHEMBL15187676 0.69 FDPS (0.47) FDPSNPC1RAB9AMAPTLMNA
SCHEMBL2637396 0.69 FDPS (0.47) FDPSNPC1RAB9AMAPTLMNA
SCHEMBL18156893 0.69 MAPT (0.48) NPC1RAB9AMAPTLMNACYP1A2
SCHEMBL10351146 0.67 TDP1 (0.43) NPC1RAB9AMAPTLMNACYP1A2
SCHEMBL9181306 0.67 PTPN5 (0.42) PGK1PGK2PTPN1
SCHEMBL2035156 0.67 FDPS (0.42) FDPSNPC1RAB9AMAPTLMNA

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 FDPS 1145/4885NPC1 3951/4885RAB9A 1611/4885

“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.

Send feedback