SCHEMBL13329784

SCHEMBL13329784

CNC(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
AKR1B1 P15121 1/20 0.59
TP53 P04637 1/20 0.54
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
ATM Q13315 1/20 0.49
ADRA2A P08913 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
MAOA P21397 1/20 0.49
ADRA1D P25100 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49

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
SCHEMBL12851348 0.88 TP53 (0.67) KMT2ATP53SMN1; SMN2LMNAMAPT
SCHEMBL10308345 0.83 KMT2A (0.51) KMT2AAKR1B1TP53RECQLSMN1; SMN2
SCHEMBL6112052 0.82 KMT2A (0.47) KMT2AAKR1B1TP53RECQLSMN1; SMN2
SCHEMBL13485815 0.82 KMT2A (0.62) KMT2AAKR1B1RECQLSMN1; SMN2ATM
SCHEMBL9642442 0.81 P2RX7 (0.50) KMT2ATP53SMN1; SMN2MEN1LMNA
SCHEMBL9527443 0.80 KMT2A (0.61) KMT2AAKR1B1RECQLSMN1; SMN2ATM
SCHEMBL25144292 0.79 HPGD (0.65) KMT2AAKR1B1RECQLSMN1; SMN2MAPK1
SCHEMBL5001972 0.79 KMT2A (0.51) KMT2AAKR1B1RECQLSMN1; SMN2ATM
SCHEMBL6393799 0.78 NPC1 (0.56) KMT2ASMN1; SMN2MEN1CYP3A4CYP2D6
SCHEMBL10646303 0.77 KMT2A (0.57) KMT2AAKR1B1RECQLSMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016950-B1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-06-07 EP disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-9663529-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-30 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2010-05-06 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 US disclosed
US-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds RANBAXY LABORATORIES LIMITED INC. (IN) 2009-03-19 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 (3 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-20090075909-A1 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF KMT2A 4338/4885AKR1B1 343/4885TP53 3075/4885
US-20160152627-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 KMT2A 1131/4885AKR1B1 1546/4885TP53 3384/4885
US-20100113371-A9 Derivatives Of Pentose Monosaccharides As Anti-Inflammatory Compounds HLA-DRB1, IL5, TNF KMT2A 4338/4885AKR1B1 343/4885TP53 3075/4885

“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.