SCHEMBL4911963

SCHEMBL4911963

O=C(O)c1c(-c2ccccc2)nc2ccc(Cl)nn12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.56
AKT1 P31749 2/20 0.47
AKT2 P31751 2/20 0.47
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
DYRK3 O43781 4/20 0.40
CDK5 Q00535 4/20 0.40
DYRK1A Q13627 4/20 0.40
CDK5R1 Q15078 4/20 0.40
DYRK2 Q92630 4/20 0.40
DYRK1B Q9Y463 4/20 0.40
CCNA2 P20248 3/20 0.40
CDK2 P24941 3/20 0.40
CCNT1 O60563 3/20 0.40
CDK9 P50750 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CGAS Q8N884 1/20 0.38

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
SCHEMBL25150438 0.82 CYP1A2 (0.65) NTRK1AKT1AKT2CYP1A2CYP2C9
SCHEMBL4968666 0.79 NTRK1 (0.53) NTRK1AKT1AKT2CYP1A2CYP2C9
SCHEMBL3037601 0.78 AKT1 (0.68) NTRK1AKT1AKT2SMN1; SMN2HPGD
SCHEMBL18816951 0.77 ALDH1A1 (0.40) NTRK1AKT1AKT2DYRK3CDK5
SCHEMBL3115930 0.77 NTRK1 (0.50) NTRK1AKT1AKT2DYRK3CDK5
SCHEMBL10277362 0.77 AKT1 (0.50) NTRK1AKT1AKT2CYP1A2CYP2C9
SCHEMBL6617429 0.77 ALDH1A1 (0.40) NTRK1CYP2C9CYP2C19NPC1RAB9A
SCHEMBL30997234 0.76 AKT1 (0.45) NTRK1AKT1AKT2CYP1A2CYP2C9
SCHEMBL5270074 0.75 NTRK1 (0.41) NTRK1AKT1AKT2CYP1A2CYP2C9
SCHEMBL10531829 0.73 AKT1 (0.47) NTRK1AKT1AKT2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778685-B1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SANOL ARZNEI SCHWARZ GMBH (DE) 2008-03-26 EP disclosed
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof SCHWARZ PHARMA AG (DE) 2008-02-28 US disclosed
EP-1778685-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2007-05-02 EP disclosed
WO-2006015737-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2006-02-16 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-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof GRIN2A, GRIN2C, GRIN1 NTRK1 93/4885AKT1 2855/4885AKT2 3273/4885

“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.