SCHEMBL19630613

SCHEMBL19630613

O=c1ccc2nc3ccc(OCc4cccc(OC(F)F)c4)cc3oc-2c1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.77
CYP1A2 P05177 1/20 0.59
F2RL3 Q96RI0 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
MAOB P27338 2/20 0.41
ALKBH1 Q13686 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL19630615 0.90 APP (0.75) APPCYP1A2F2RL3NPC1RAB9A
SCHEMBL10167864 0.87 APP (1.00) APPCYP1A2NPC1RAB9AMAOB
SCHEMBL563335 0.84 APP (0.79) APPCYP1A2NPC1RAB9AMAOB
SCHEMBL29809000 0.84 APP (0.79) APPCYP1A2NPC1RAB9AMAOB
SCHEMBL23623803 0.80 APP (0.78) APPCYP1A2NPC1RAB9AMAOB
SCHEMBL19627047 0.80 APP (0.70) APPCYP1A2F2RL3
SCHEMBL19627050 0.79 APP (0.78) APPCYP1A2F2RL3MAOBACHE
SCHEMBL1104921 0.78 APP (1.00) APPCYP1A2F2RL3NPC1RAB9A
SCHEMBL10167879 0.78 APP (0.80) APPCYP1A2NPC1RAB9AMAOB
SCHEMBL18467806 0.78 APP (0.80) APPCYP1A2NPC1RAB9AMAOB

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-20170334865-A1 DDR2 INHIBITORS AND METHODS OF USING WASHINGTON UNIVERSITY (US) 2017-11-23 US disclosed
US-20170334865-A1 DDR2 INHIBITORS AND METHODS OF USING WASHINGTON UNIVERSITY (US) 2017-11-23 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-20170334865-A1 DDR2 INHIBITORS AND METHODS OF USING DDR2, DDR1, DDRGK1 APP 3057/4885CYP1A2 4799/4885F2RL3 861/4885

“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.