SCHEMBL768849

SCHEMBL768849

N#Cc1cccc(-c2cccs2)c1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.49
ADORA1 P30542 5/20 0.49
PIM1 P11309 3/20 0.49
KDM4E B2RXH2 6/20 0.48
MAPT P10636 3/20 0.47
HSD17B10 Q99714 3/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
HCRTR1 O43613 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LTK P29376 1/20 0.41
CDK5 Q00535 1/20 0.41
MST1R Q04912 1/20 0.41
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAOA P21397 3/20 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
SCHEMBL12679744 0.89 ADORA2A (0.54) ADORA2AADORA1PIM1KDM4EMAPT
SCHEMBL29669280 0.83 KDM4E (0.47) ADORA2AADORA1PIM1KDM4EMAPT
SCHEMBL8799027 0.83 KDM4E (0.47) ADORA2AADORA1PIM1KDM4EMAPT
SCHEMBL5776802 0.81 ADORA1 (0.55) ADORA2AADORA1PIM1KDM4EMAPT
SCHEMBL11132592 0.78 ESR2 (0.43) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL2753077 0.76 SMN1; SMN2 (0.32) SMN1; SMN2MAOAMAOB
SCHEMBL1164670 0.75 MAPT (0.44) ADORA2AADORA1PIM1KDM4EMAPT
SCHEMBL12679799 0.73 KDM4E (0.55) ADORA2AADORA1PIM1KDM4EMAPT
SCHEMBL11876478 0.72 ESR2 (0.48) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL820505 0.72 ESR2 (0.48) ADORA2AADORA1KDM4EHSD17B10ALDH1A1

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
US-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS BASF SE (DE) 2012-03-22 US disclosed
CN-100345912-C Metaloxyphthalocyanine compounds AVECIA LTD (GB) 2007-10-31 CN disclosed
CN-1678691-A Metaloxyphthalocyanine compounds AVECIA LTD (GB) 2005-10-05 CN disclosed
US-5346670-A Phthalocyanine and tetrabenztriazaporphyrin reagents BRITISH TECHNOLOGY GROUP U.S.A. INC. (US) 1994-09-13 US disclosed
EP-0434727-A4 RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS ULTRA DIAGNOSTIC CORP (US) 1994-08-17 EP disclosed
US-5135717-A Imaging therapy BRITISH TECHNOLOGY GROUP USA INC. (US) 1992-08-04 US disclosed
EP-0434727-A1 RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS BRITISH TECHNOLOGY GROUP (USA) INCORPORATED (US) 1991-07-03 EP disclosed
WO-1990002747-A1 RED-SHIFTED PHTHALOCYANINE AND TETRABENZTRIAZAPORPHYRIN REAGENTS ULTRA DIAGNOSTICS CORPORATION (US) 1990-03-22 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-20120068123-A1 USE OF PHTHALOCYANINE COMPOUNDS WITH ARYL OR HETARYL SUBSTITUENTS IN ORGANIC SOLAR CELLS RB1, NRAS, HLA-B ADORA2A 1251/4885ADORA1 1927/4885PIM1 4178/4885

“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.