SCHEMBL5404587

SCHEMBL5404587

COc1cc2c(c(OC)c1)CNC=N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK10 P53779 1/20 0.32
RIPK1 Q13546 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
CYP3A4 P08684 3/20 0.32
CYP1A2 P05177 2/20 0.32
DRD1 P21728 2/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR6 P50406 1/20 0.31
MAPK1 P28482 2/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL5408544 0.82 CYP3A4 (0.40) ALDH1A1CYP3A4CYP1A2ADRB1MAPK1
SCHEMBL27781837 0.70 MAPT (0.43) ALDH1A1CYP3A4KDM4EMAPT
SCHEMBL17241138 0.68 TDP1 (0.36) CYP3A4
SCHEMBL29820325 0.66 MAOA (0.41) ALDH1A1DRD1HSD17B10
SCHEMBL27475405 0.65 CA12 (0.38) CA1CA2CA12CA7CA9
SCHEMBL3882991 0.64 PNMT (0.48) CYP1A2DRD1HTR6HTR1AALOX15
Hydrochloric Acid SCHEMBL16040114 0.63 ADRA2A (0.42) CYP1A2DRD1HTR6HTR1AALOX15
Hydrochloric Acid SCHEMBL22027739 0.63 PNMT (0.47) CYP1A2DRD1HTR6HTR1AALOX15
SCHEMBL27573706 0.63 KDM4E (0.38) ALDH1A1PDE3BPDE3ACYP3A4CYP1A2
SCHEMBL19122792 0.62 CA1 (0.47) CA1CA2CA12CA7CA9

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-7160891-B2 Quinazoline derivatives for the treatment of T cell mediated diseases ASTRAZENECA AB (SE) 2007-01-09 US disclosed
US-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases ASTRAZENECA AB (SE) 2005-02-17 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-20050038050-A1 Quinazoline derivatives for the treatment of t cell mediated diseases CD4, HLA-DRB1, IFNG CA1 2414/4885CA2 2930/4885CA12 3452/4885

“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.