SCHEMBL2614947

SCHEMBL2614947

COc1ccc(-c2ccc(C)nn2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
TNKS O95271 1/20 0.40
CCR1 P32246 1/20 0.39
CCR5 P51681 1/20 0.39
CCR8 P51685 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SCD O00767 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NAAA Q02083 1/20 0.36
CBFB Q13951 1/20 0.36
DYRK1A Q13627 1/20 0.36
PTGER4 P35408 1/20 0.36

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
SCHEMBL3147993 0.84 CA12 (0.50) TNKSCCR1CCR5CCR8HDAC6
SCHEMBL30335253 0.84 CA12 (0.50) TNKSCCR1CCR5CCR8HDAC6
SCHEMBL16656143 0.79 CCR1 (0.67) TNKSCCR1CCR5CCR8HDAC6
SCHEMBL435691 0.78
SCHEMBL17826975 0.77 NAAA (0.39) PDE10ATNKSSCDRXFP1NPC1
SCHEMBL2609406 0.77 TNKS (0.37) TNKSSCDRXFP1NPC1RAB9A
SCHEMBL2615846 0.77 NPC1 (0.61) RXFP1NPC1RAB9AKDM4EMAPT
SCHEMBL27855421 0.76 RXFP1 (0.51) PDE10ATNKSRXFP1NPC1RAB9A
SCHEMBL17051503 0.76 CCR1 (0.70) CCR1CCR5CCR8HDAC6NPC1
SCHEMBL13052072 0.74 APLNR (0.44) CCR1CCR5CCR8HDAC6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785445-B2 7-phenoxychroman carboxylic acid derivatives ARRAY BIOPHARMA INC. (US) 2014-07-22 US disclosed
US-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2012-04-26 US disclosed
WO-2010075200-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES ARRAY BIOPHARMA INC. (US) 2010-07-01 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-20120101103-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES PTGDR2, PTGDR, HRH2 PDE10A 533/4885TNKS 3227/4885CCR1 133/4885

“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.