SCHEMBL1780458

SCHEMBL1780458

CSc1ncnc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2C19 P33261 1/20 0.55
MAPT P10636 7/20 0.54
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
KDM1A O60341 1/20 0.53
BCAT2 O15382 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
PKM P14618 1/20 0.50
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50

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
SCHEMBL29975518 1.00 ALDH1A1 (0.56) ALDH1A1HTTTDP1CYP1A2CYP2C19
SCHEMBL11803328 0.83 HTT (0.59) ALDH1A1HTTTDP1MAPTLMNA
SCHEMBL27212829 0.76 KDM1A (0.58) ALDH1A1HTTTDP1MAPTLMNA
SCHEMBL11807293 0.76 MAPT (0.65) ALDH1A1HTTTDP1MAPTLMNA
SCHEMBL5269788 0.76 BCAT2 (0.60) ALDH1A1HTTTDP1CYP1A2CYP2C19
SCHEMBL6833209 0.75 EGFR (0.42) ALDH1A1HTTTDP1CYP1A2CYP2C19
SCHEMBL6837647 0.75 EGFR (0.42) EGFRRAB9A
SCHEMBL6213388 0.74 MAPT (0.61) ALDH1A1HTTTDP1MAPTLMNA
SCHEMBL5136561 0.73 ALDH1A1 (0.58) ALDH1A1HTTTDP1MAPTLMNA
SCHEMBL5136559 0.73 BCAT2 (0.57) ALDH1A1HTTTDP1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379749-B1 UNSYMMETRICAL CYANINE DYES FOR HIGH RESOLUTION NUCLEIC ACID MELTING ANALYSIS CANON US LIFE SCIENCES INC (US) 2018-02-14 EP disclosed
CN-103874495-B As the amido quinazoline of inhibitors of kinases GlaxoSmithKline Intellectual Property Development Ltd. (GB) 2016-04-20 CN disclosed
CN-103874495-A Amino quinazolines as kinase inhibitors GLAXO GROUP LTD 2014-06-18 CN disclosed
CN-103298805-A Quinazoline compounds and methods of use thereof AMBIT BIOSCIENCES CORP 2013-09-11 CN disclosed
EP-2379749-A1 UNSYMMETRICAL CYANINE DYES FOR HIGH RESOLUTION NUCLEIC ACID MELTING ANALYSIS Canon U.S. Life Sciences, Inc. (US) 2011-10-26 EP disclosed
US-7943320-B2 Unsymmetrical cyanine dyes for high resolution nucleic acid melting analysis CANON U.S. LIFE SCIENCES, INC. (US) 2011-05-17 US disclosed
WO-2010078154-A1 UNSYMMETRICAL CYANINE DYES FOR HIGH RESOLUTION NUCLEIC ACID MELTING ANALYSIS CANON U.S. LIFE SCIENCES, INC. (US) 2010-07-08 WO disclosed
US-20100167279-A1 UNSYMMETRICAL CYANINE DYES FOR HIGH RESOLUTION NUCLEIC ACID MELTING ANALYSIS CANON U.S. LIFE SCIENCES, INC. (US) 2010-07-01 US disclosed
US-20090312322-A1 Use of Oxindole Derivatives in the Treatment of Dementia Related Diseases, Alzheimer's Disease and Conditions Associated with Glycogen Synthase Kinase-3 ASTRAZENECA AB (SE) 2009-12-17 US disclosed
WO-2009085879-A2 C20-C21 SUBSTITUTED GLUCOCORTICOID RECEPTOR AGONISTS SCHERING CORPORATION (US) 2009-07-09 WO disclosed
US-4855420-A Cephalosporin derivatives ICI PHARMA (FR) 1989-08-08 US disclosed
US-4678781-A BACTERICIDAL ANTIBIOTICS ICI PHARMA (FR) 1987-07-07 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 (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-20090312322-A1 Use of Oxindole Derivatives in the Treatment of Dementia Related Diseases, Alzheimer's Disease and Conditions Associated with Glycogen Synthase Kinase-3 GSK3A, GSK3B, PSEN1 ALDH1A1 2885/4885HTT 555/4885TDP1 652/4885
US-20100167279-A1 UNSYMMETRICAL CYANINE DYES FOR HIGH RESOLUTION NUCLEIC ACID MELTING ANALYSIS POLRMT, DDB1, DDX21 ALDH1A1 2884/4885HTT 1291/4885TDP1 141/4885

“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.