SCHEMBL12601799

SCHEMBL12601799

CC(=O)Nc1ncc(-c2ccc(-c3cnc(NC(C)=O)[nH]3)cc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.46
ABL1 P00519 1/20 0.46
AOC3 Q16853 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
NR1I2 O75469 1/20 0.42
AHR P35869 1/20 0.42
BACE1 P56817 2/20 0.41
PTGES O14684 2/20 0.41
NQO2 P16083 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
ADORA2A P29274 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
SCHEMBL859058 0.92 MAPT (0.44) HTR6ABL1AOC3LMNASMN1; SMN2
SCHEMBL10117308 0.77 TNIK (0.44) ABL1SMN1; SMN2RAB9ABACE1PTGES
SCHEMBL20169736 0.76 SCN9A (0.61) AOC3SMN1; SMN2HTTL3MBTL1MEN1
SCHEMBL14576669 0.76 TGFBR1 (0.47) HTR6LMNARAB9AKDM4EGAA
SCHEMBL31678858 0.74 HTR6 (0.43) HTR6ABL1LMNASMN1; SMN2MEN1
SCHEMBL10117301 0.73 MAPT (0.44) ABL1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL19501569 0.71 NPC1 (0.52) MEN1KMT2ARAB9ANPC1BACE1
SCHEMBL20268646 0.71 KDM4E (0.40) HTR6LMNAL3MBTL1POLBKDM4E
SCHEMBL2163044 0.71 CCNB2 (0.44) L3MBTL1MEN1POLBKMT2ARAB9A
SCHEMBL10117305 0.71 TUBB4A (0.42) ABL1LMNASMN1; SMN2MEN1POLB

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-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
US-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA' DEGLISTUDI DI MILANO- BICOCCA (IT) 2011-05-12 US disclosed
WO-2009121535-A2 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITA`DEGLI STUDI DI MILANO - BICOCCA (IT) 2009-10-08 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-20110112110-A1 ANTIPROLIFERATIVE COMPOUNDS AND THERAPEUTIC USES THEREOF ABL1, MKI67, BCR HTR6 3931/4885ABL1 1/4885AOC3 4413/4885

“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.