SCHEMBL4826664

SCHEMBL4826664

CCn1c(C)nc(C)c1C(=O)/C=C/N(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.37
ALDH1A1 P00352 7/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 8/20 0.37
POLB P06746 4/20 0.36
LMNA P02545 3/20 0.36
RECQL P46063 2/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
HPGD P15428 2/20 0.34
ALOX12 P18054 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL4826666 1.00 RAB9A (0.37) RAB9AALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL6599032 0.80 SMN1; SMN2 (0.42) RAB9AALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL6599035 0.80 SMN1; SMN2 (0.42) RAB9AALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL4825098 0.76 ALDH1A1 (0.37) RAB9AALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL4825102 0.76 ALDH1A1 (0.37) RAB9AALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL3554224 0.72 HTT (0.40) RAB9AALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL3554226 0.72 HTT (0.40) RAB9AALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL1684439 0.68 ALDH1A1 (0.55) RAB9AALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL1684435 0.68 ALDH1A1 (0.55) RAB9AALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL18776600 0.67 HTT (0.40) RAB9AALDH1A1KMT2ANPC1SMN1; SMN2

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
US-7446105-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2008-11-04 US disclosed
US-20050119291-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2005-06-02 US disclosed
EP-1485374-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2004-12-15 EP disclosed
WO-2003076433-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-09-18 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-20050119291-A1 Pyrimidine compounds TYMP, TYMS, CCNT1 RAB9A 3499/4885ALDH1A1 713/4885KMT2A 3174/4885

“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.