SCHEMBL2431863

SCHEMBL2431863

COc1ccnc(-c2c[c]ccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.58
CCR5 P51681 1/20 0.58
CCR8 P51685 1/20 0.58
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
PLAU P00749 1/20 0.40
KDR P35968 1/20 0.39
CYP19A1 P11511 1/20 0.39
TGFBR1 P36897 1/20 0.38
PKM P14618 1/20 0.37
GRM5 P41594 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2E1 P05181 1/20 0.37

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
SCHEMBL29386644 0.80 CCR1 (0.70) CCR1CCR5CCR8DYRK1ACLK4
SCHEMBL12753751 0.80 CCR1 (0.70) CCR1CCR5CCR8DYRK1ACLK4
SCHEMBL4555939 0.79 CYP2A6 (0.56) CCR1CCR5CCR8NOS3NOS1
SCHEMBL16471822 0.78 CCR1 (0.68) CCR1CCR5CCR8DYRK1ACLK4
SCHEMBL3759998 0.76 DYRK1A (0.56) CCR1CCR5CCR8DYRK1ACLK4
SCHEMBL28590584 0.76 ASIC3 (0.44) PLAUCYP19A1TGFBR1CYP1A2CYP3A4
SCHEMBL182529 0.75 CCR1 (1.00) CCR1CCR5CCR8DYRK1ACLK4
SCHEMBL29395249 0.75 CCR1 (1.00) CCR1CCR5CCR8DYRK1ACLK4
SCHEMBL27729200 0.75 KIF11 (0.39) CYP2A6
SCHEMBL361043 0.75 CYP3A4 (0.52) DYRK1ACLK4CYP1A1CYP1A2CYP2E1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319426-A1 Substituted Isoindoles ASTRAZENECA AB (SE) 2011-12-29 US claimed
EP-2367814-A1 NEW COMPOUNDS 578 AstraZeneca AB (SE) 2011-09-28 EP claimed
US-20100125082-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 US claimed
WO-2010056196-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 WO claimed
US-20110319426-A1 Substituted Isoindoles ASTRAZENECA AB (SE) 2011-12-29 US disclosed
US-8030500-B2 Substituted isoindoles for the treatment and/or prevention of Aβ- related pathologies ASTRAZENECA AB (SE) 2011-10-04 US disclosed
EP-2367814-A1 NEW COMPOUNDS 578 AstraZeneca AB (SE) 2011-09-28 EP disclosed
US-20100125082-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 US disclosed
WO-2010056196-A1 NEW COMPOUNDS 578 ASTRAZENECA AB (SE) 2010-05-20 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 (2 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-20100125082-A1 NEW COMPOUNDS 578 PSEN1, PSEN2, BACE1 CCR1 3931/4885CCR5 1200/4885CCR8 2580/4885
US-20110319426-A1 Substituted Isoindoles PSEN2, PSEN1, SNCA CCR1 4371/4885CCR5 1219/4885CCR8 4690/4885

“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.