SCHEMBL1801972

SCHEMBL1801972

Cc1c[nH]c(N)c1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
POLB P06746 4/20 0.38
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CCNC P24863 3/20 0.33
CDK8 P49336 3/20 0.33
EPHB4 P54760 2/20 0.33
SLC9A1 P19634 1/20 0.33
GDA Q9Y2T3 1/20 0.32
MAPT P10636 1/20 0.32
ATAD2 Q6PL18 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1082611 0.80 NOTUM (0.65) NOTUMPOLBALDH1A1CYP1A2CCNC
SCHEMBL1504482 0.76 ALDH1A1 (0.42) POLBALDH1A1GDAMAPTMEN1
SCHEMBL7427038 0.75 NOTUM (0.44) NOTUMPOLBALDH1A1CYP1A2CCNC
SCHEMBL19438592 0.75 ALDH1A1 (0.50) ALDH1A1CYP1A2MAPTMEN1LMNA
SCHEMBL24809450 0.70 NOTUM (0.39) NOTUMPOLBALDH1A1CYP1A2MAPT
SCHEMBL10057754 0.70 NOTUM (0.39) NOTUMPOLBCYP1A2MAPT
SCHEMBL7475587 0.70 CCNC (0.42) NOTUMALDH1A1CCNCCDK8SLC9A1
SCHEMBL20157257 0.67 CCNC (0.51) NOTUMALDH1A1CCNCCDK8SLC9A1
SCHEMBL31307651 0.66 POLB (0.48) POLBALDH1A1CYP1A2MAPTMEN1
SCHEMBL12663437 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021239727-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-12-02 WO disclosed
EP-3915990-A1 4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-3,6-DIHYDROPYRIDINE-1-(2H)-CARBOXAMIDE DERIVATIVES AS LIMK AND/OR ROCK KINASES INHIBITORS FOR USE IN THE TREATMENT OF CANCER Centre National de la Recherche Scientifique (FR) 2021-12-01 EP disclosed
EP-2084130-B1 PROCESS FOR PREPARING 5-ALKYL-7H-PYRROLO[2,3-D]PYRIMIDINE-2-OLS LEXICON PHARMACEUTICALS INC (US) 2012-06-27 EP disclosed
EP-2084130-B1 PROCESS FOR PREPARING 5-ALKYL-7H-PYRROLO[2,3-D]PYRIMIDINE-2-OLS LEXICON PHARMACEUTICALS INC (US) 2012-06-27 EP disclosed
US-7951941-B2 Process for preparing 5-alkyl-7H-pyrrolo[2,3-d] pyrimindine-2-ols LEXICON PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7951941-B2 Process for preparing 5-alkyl-7H-pyrrolo[2,3-d] pyrimindine-2-ols LEXICON PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
US-7951941-B2 Process for preparing 5-alkyl-7H-pyrrolo[2,3-d] pyrimindine-2-ols LEXICON PHARMACEUTICALS, INC. (US) 2011-05-31 US disclosed
EP-2084130-A1 PROCESS FOR PREPARING 5-ALKYL-7H-PYRROLO[2,3-D]PYRIMIDINE-2-OLS Lexicon Pharmaceuticals, Inc. (US) 2009-08-05 EP disclosed
WO-2008051887-A1 PROCESS FOR PREPARING 5-ALKYL-7H-PYRROLO[2,3-D]PYRIMIDINE-2-OLS LEXICON PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
WO-2008051887-A1 PROCESS FOR PREPARING 5-ALKYL-7H-PYRROLO[2,3-D]PYRIMIDINE-2-OLS LEXICON PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
US-20080097098-A1 PROCESS FOR PREPARING 5-ALKYL-7H-PYRROLO[2,3-d] PYRIMINDINE-2-OLS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-04-24 US disclosed
US-20080097098-A1 PROCESS FOR PREPARING 5-ALKYL-7H-PYRROLO[2,3-d] PYRIMINDINE-2-OLS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-04-24 US disclosed
US-20080097098-A1 PROCESS FOR PREPARING 5-ALKYL-7H-PYRROLO[2,3-d] PYRIMINDINE-2-OLS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2008-04-24 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-20080097098-A1 PROCESS FOR PREPARING 5-ALKYL-7H-PYRROLO[2,3-d] PYRIMINDINE-2-OLS THPO, DHPS, DPYD NOTUM 3695/4885POLB 52/4885ALDH1A1 564/4885

“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.