SCHEMBL1244979

SCHEMBL1244979

Cc1nnc(NC(=O)c2ccc(Cl)s2)c2c1C(=O)OC2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.45
NPC1 O15118 10/20 0.45
RAB9A P51151 10/20 0.45
MEN1 O00255 8/20 0.45
HPGD P15428 7/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 8/20 0.45
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 8/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
MAPT P10636 2/20 0.42

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
SCHEMBL1244988 0.78 NPC1 (0.51) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL1245685 0.75 F10 (0.42) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL3380643 0.73 HPGD (0.53) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL1245014 0.71 KMT2A (0.51) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL1245083 0.71 HPGD (0.47) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL1244998 0.67 KDM4E (0.48) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL8230516 0.65 STK33 (0.39) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL9283635 0.65 NPC1 (0.63) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL10253384 0.64 RAB9A (0.76) KMT2ANPC1RAB9AMEN1HPGD
SCHEMBL3608488 0.64 POLB (0.57) KMT2ANPC1RAB9AMEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
EP-2029589-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 EP disclosed
WO-2007137793-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 WO disclosed
WO-2007137793-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 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-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF DPYD, QDPR, DHPS KMT2A 3603/4885NPC1 3168/4885RAB9A 3097/4885

“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.