SCHEMBL2775016

SCHEMBL2775016

CCNNc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK10 P53779 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 1/20 0.46
GAA P10253 3/20 0.46
FABP1 P07148 1/20 0.46
FABP6 P51161 1/20 0.46
GRM5 P41594 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 1/20 0.44
CYP1A2 P05177 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL10405315 0.79 MEN1 (0.61) CXCR4MEN1MAPK10GFERKMT2A
SCHEMBL306278 0.78
SCHEMBL29394898 0.78
Hydrochloric Acid SCHEMBL8742967 0.77 MEN1 (0.58) CXCR4MEN1MAPK10GFERKMT2A
Hydrochloric Acid SCHEMBL14743180 0.77 CXCR4 (0.59) CXCR4MEN1MAPK10GFERKMT2A
SCHEMBL27534576 0.77 CXCR4 (0.59) CXCR4MEN1MAPK10GFERKMT2A
SCHEMBL6714514 0.76 CYP1A2 (0.53) CXCR4MEN1MAPK10GFERKMT2A
SCHEMBL2227737 0.76
SCHEMBL20988260 0.75 GAA (0.45) CXCR4MEN1MAPK10GFERKMT2A
SCHEMBL11310537 0.73 KDM4E (0.58) MEN1KMT2AGAARAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110709396-A Novel compound inhibitors of the YAP/TAZ-TEAD interaction and their use in the treatment of malignant mesothelioma 伊文蒂瓦公司 2020-01-17 CN disclosed
WO-2017066672-A1 SENSOR DYES FOR REAL-TIME SENSING OF METAL IONS IN AQUEOUS ENVIRONMENTS UWM RESEARCH FOUNDATION, INC. (US) 2017-04-20 WO disclosed
WO-2010091543-A1 NOVEL HYDRAZINO-CYCLOBUT-3-ENE-1, 2-DIONE DERIVATIVES AS CXCR2 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-08-19 WO disclosed
US-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE TRIUS THERAPEUTICS (US) 2008-08-14 US disclosed
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2003-07-10 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-4013600-A STORAGE STABILITY RHONE-POULENC INDUSTRIES (FR) 1977-03-22 US disclosed
US-4010220-A AMINO COMPOUND, POLYURETHANE ELASTOMER RHONE-POULENC INDUSTRIES (FR) 1977-03-01 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 (3 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-20080194545-A1 ANTIMICROBIAL COMPOSITIONS AND METHODS OF USE ABCB11, FPR1, C5 CXCR4 2156/4885MEN1 1366/4885MAPK10 4133/4885
US-20030130289-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CXCR4 1555/4885MEN1 3334/4885MAPK10 1004/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB CXCR4 1400/4885MEN1 3376/4885MAPK10 974/4885

“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.