SCHEMBL728770

SCHEMBL728770

Sc1ccnc(-c2ccccn2)c1-c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
LMNA P02545 3/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
CYP1A2 P05177 2/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
NPC1 O15118 8/20 0.43
TP53 P04637 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 0.43

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
SCHEMBL28554050 0.84 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL15436283 0.80 KDM4E (0.42) KDM4ELMNACCR1CCR5CCR8
SCHEMBL230110 0.79 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31543749 0.79 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4513178 0.79 CYP2A6 (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17045822 0.78 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7553182 0.76 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4657861 0.76 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2138821 0.76 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4613441 0.76 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895960-B2 Electrode covering material, electrode structure and semiconductor device SONY CORPORATION (JP) 2014-11-25 US disclosed
EP-2091077-B1 ELECTRODE COATING MATERIAL, ELECTRODE STRUCTURE AND SEMICONDUCTOR DEVICE SONY CORP (JP) 2014-01-29 EP disclosed
US-8138492-B2 Formation of carbon and semiconductor nanomaterials using molecular assemblies INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-03-20 US disclosed
US-20110204318-A1 FORMATION OF CARBON AND SEMICONDUCTOR NANOMATERIALS USING MOLECULAR ASSEMBLIES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-08-25 US disclosed
US-7855133-B2 Formation of carbon and semiconductor nanomaterials using molecular assemblies INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2010-12-21 US disclosed
US-20100314611-A1 ELECTRODE COVERING MATERIAL, ELECTRODE STRUCTURE AND SEMICONDUCTOR DEVICE SONY CORPORATION (JP) 2010-12-16 US disclosed
EP-2091077-A1 ELECTRODE COATING MATERIAL, ELECTRODE STRUCTURE AND SEMICONDUCTOR DEVICE Sony Corporation (JP) 2009-08-19 EP disclosed
US-7544546-B2 Formation of carbon and semiconductor nanomaterials using molecular assemblies INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-06-09 US disclosed
US-20090087972-A1 FORMATION OF CARBON AND SEMICONDUCTOR NANOMATERIALS USING MOLECULAR ASSEMBLIES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-04-02 US disclosed
US-7420058-B2 Compound for molecular electronic device having thiol anchoring group, method of synthesizing the compound, and molecular electronic device having molecular active layer obtained from the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2008-09-02 US disclosed
WO-2008066947-A2 FORMATION OF CARBON AND SEMICONDUCTOR NANOMATERIALS USING MOLECULAR ASSEMBLIES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2008-06-05 WO disclosed
WO-2008060678-A2 FORMATION OF CARBON AND SEMICONDUCTOR NANOMATERIALS USING MOLECULAR ASSEMBLIES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2008-05-22 WO disclosed
US-20070264764-A1 Formation of carbon and semiconductor nanomaterials using molecular assemblies INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-11-15 US disclosed
US-20070120121-A1 Compound for molecular electronic device having thiol anchoring group, method of synthesizing the compound, and molecular electronic device having molecular active layer obtained from the compound ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE 2007-05-31 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 (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-20100314611-A1 ELECTRODE COVERING MATERIAL, ELECTRODE STRUCTURE AND SEMICONDUCTOR DEVICE EPCAM, PIEZO1, KCNN4 KDM4E 2308/4885LMNA 3275/4885CCR1 2728/4885

“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.