SCHEMBL7449249

SCHEMBL7449249

O/C=C/Cc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP2D6 P10635 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
LOXL2 Q9Y4K0 2/20 0.42
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ARG2 P78540 1/20 0.39
MAOB P27338 1/20 0.39
FDPS P14324 1/20 0.35
HRH1 P35367 2/20 0.34
HTT P42858 1/20 0.34
CYP11B1 P15538 3/20 0.33
CYP17A1 P05093 2/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B2 P19099 2/20 0.33
HDAC1 Q13547 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
SCHEMBL7349692 1.00 CYP3A4 (0.46) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL8922685 0.98 CYP3A4 (0.44) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL27594226 0.87 LMNA (0.44) CYP3A4CYP11B1CYP17A1CYP19A1CYP11B2
SCHEMBL3408218 0.78 LOXL2 (0.50) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL151828 0.76 LOXL2 (0.48) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL16992896 0.76 CYP3A4 (0.46) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL655670 0.75 MAOB (0.70) ALDH1A1LOXL2CA1CA2ARG2
SCHEMBL5165097 0.75 MAOB (0.70) ALDH1A1LOXL2CA1CA2ARG2
SCHEMBL9397700 0.75 MAOB (0.70) ALDH1A1LOXL2CA1CA2ARG2
SCHEMBL18662465 0.74 CYP1A2 (0.44) CYP3A4CYP1A2CYP2C9CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362336-B1 ADMINISTERING A QUINAZOLINE DERIVATIVE TO A WARM-BLOODED ANIMAL FOR PRODUCING AN ANTIANGIOGENIC AND/OR VASCULAR PERMEABILITY REDUCING EFFECT ZENECA LIMITED (GB) 2002-03-26 US disclosed
US-20020032208-A1 Chemical compounds ZENECA LIMITED 2002-03-14 US disclosed
EP-0873319-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-07-25 EP disclosed
US-6258951-B1 ANTICANCER, ANTIARTHRITIC AGENTS ZENECA LIMITED (GB) 2001-07-10 US disclosed
US-6071921-A Chemical compounds ZENECA LIMITED (GB) 2000-06-06 US disclosed
US-5962458-A ANGIOGENESIS INHIBITORS, ANTICANCER AGENTS, ANTIDIABETIC AGENTS, SKIN DISORDERS, AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS, VISION DEFECTS ZENECA LIMITED (GB) 1999-10-05 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-20020032208-A1 Chemical compounds FLT1, CNKSR1, KDR CYP3A4 464/4885CYP1A2 516/4885CYP2C9 224/4885

“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.