SCHEMBL1835480

SCHEMBL1835480

COc1cc(Br)nc2[nH]ccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.42
PRKCI P41743 1/20 0.41
DYRK1A Q13627 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TTK P33981 2/20 0.37
TNNI3K Q59H18 1/20 0.37
MAPK1 P28482 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
LRRK2 Q5S007 1/20 0.35
TTBK1 Q5TCY1 1/20 0.35
TTBK2 Q6IQ55 1/20 0.35

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
SCHEMBL16612853 0.84 BRD4 (0.43) BRD4DYRK1AADORA2AADORA1TTK
SCHEMBL2989546 0.82 S1PR1 (0.46) PRKCIADORA2AADORA1TNNI3KMAPK1
SCHEMBL23147921 0.81 BRD4 (0.43) BRD4DYRK1ATTKTNNI3KLRRK2
SCHEMBL29721888 0.81 BRD4 (0.43) BRD4DYRK1ATTKTNNI3KLRRK2
SCHEMBL3003211 0.80 NUDT1 (0.39) PRKCITNNI3KMAPK1TTBK1TTBK2
SCHEMBL3360828 0.76 PRKCI (0.44) BRD4PRKCIDYRK1AADORA2AADORA1
SCHEMBL17798159 0.73 DYRK1A (0.49) PRKCIDYRK1AADORA2AADORA1MAPK1
SCHEMBL4155479 0.73 PRKCI (0.48) PRKCIDYRK1AADORA2AADORA1MAPK1
SCHEMBL29549135 0.73 PRKCI (0.48) PRKCIDYRK1AADORA2AADORA1MAPK1
SCHEMBL29920846 0.73 DYRK1A (0.49) PRKCIDYRK1AADORA2AADORA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125803-B1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2013-04-10 EP disclosed
US-20110201599-A1 CDK Modulators EXELIXIS, INC. (US) 2011-08-18 US disclosed
EP-2320895-A2 CDK MODULATORS Exelixis, Inc. (US) 2011-05-18 EP disclosed
US-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-07-22 US disclosed
WO-2010003133-A2 CDK MODULATORS EXELIXIS INC. (US) 2010-01-07 WO disclosed
EP-2125803-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF Centre National de la Recherche Scientifique (FR) 2009-12-02 EP disclosed
WO-2008129152-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-10-30 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 (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-20100184790-A1 PYRROLO[2,3-B]PYRIDINE COMPOUNDS, AZAINDOLE COMPOUNDS USED FOR SYNTHESIZING SAID PYRROLO[2,3-B]PYRIDINE COMPOUNDS, METHODS FOR THE PRODUCTION THEREOF, AND USES THEREOF BAD, PPOX, CASP3 BRD4 82/4885PRKCI 1558/4885DYRK1A 1239/4885
US-20110201599-A1 CDK Modulators CDK3, CDK1, CDKL1 BRD4 123/4885PRKCI 387/4885DYRK1A 546/4885

“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.