SCHEMBL4762222

SCHEMBL4762222

CC(C)(C)c1nnc(N(C(=O)O)c2ccccc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 7/20 0.42
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
PAX8 Q06710 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 4/20 0.38
MLYCD O95822 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.34
HTT P42858 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
SCHEMBL1943555 0.85 NPC1 (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL5381977 0.80 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL3585979 0.78 NPSR1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL5373150 0.76 GLS (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1945009 0.75 NPC1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL15939755 0.74 CYP3A4 (0.68) CYP3A4ALDH1A1NPC1RAB9ACYP2C9
SCHEMBL17601670 0.69 NPC1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4741127 0.68 RAB9A (0.53) CYP3A4ALDH1A1NPC1RAB9ACYP2C9
SCHEMBL19778 0.68 NPSR1 (0.70) ALDH1A1NPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL9611270 0.67 KMT2A (0.62) CYP3A4ALDH1A1NPC1RAB9ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737462-B1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity ASTRAZENECA AB (SE) 2008-01-31 US disclosed
EP-1737462-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY AstraZeneca AB (SE) 2007-01-03 EP disclosed
WO-2005060969-A1 PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2005-07-07 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 (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-20080027076-A1 Pyrimidines With Tie2 (Tek) Activity TIE1, TEK, TEKT1 CYP3A4 4242/4885ALDH1A1 1331/4885NPC1 4792/4885

“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.