SCHEMBL1245593

SCHEMBL1245593

Cc1nc(NC(=O)c2ccc(Cl)s2)c2c(n1)C(=O)N(Cc1cccc(I)c1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.53
NTRK1 P04629 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
KDM4E B2RXH2 4/20 0.37
HPGD P15428 3/20 0.37
ACKR3 P25106 1/20 0.36
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
AURKA O14965 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP3A4 P08684 1/20 0.35
DPP4 P27487 1/20 0.35
CYP2C19 P33261 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 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
SCHEMBL12904472 0.92 F10 (0.43) F10NTRK1ALDH1A1MEN1KMT2A
SCHEMBL1244986 0.87 F10 (0.49) F10NTRK1ALDH1A1MEN1KMT2A
SCHEMBL1243749 0.83 F10 (0.53) F10NTRK1ALDH1A1MEN1KMT2A
SCHEMBL1243850 0.83 F10 (0.53) F10NTRK1ALDH1A1MEN1KMT2A
SCHEMBL12889135 0.83 F10 (0.43) F10ACKR3
SCHEMBL1245067 0.83 F10 (0.41) F10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1243674 0.82 F10 (0.61) F10NTRK1ALDH1A1MEN1KMT2A
SCHEMBL1243703 0.81 F10 (0.62) F10NTRK1ALDH1A1MEN1KMT2A
SCHEMBL3376377 0.80 F10 (0.74) F10ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1243692 0.79 F10 (0.65) F10NTRK1ALDH1A1MEN1KMT2A

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 F10 1315/4885NTRK1 4290/4885ALDH1A1 349/4885

“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.