Sugi Predict

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SCHEMBL1245067

SCHEMBL1245067

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.41
▸ KMT2A Q03164 9/20 0.38
▸ ALDH1A1 P00352 7/20 0.38
▸ MEN1 O00255 7/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ HPGD P15428 5/20 0.38
▸ NPC1 O15118 7/20 0.36
▸ RAB9A P51151 7/20 0.36
▸ SMN1; SMN2 Q16637 6/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ STK33 Q9BYT3 1/20 0.35
▸ CASP3 P42574 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1245685 0.84 F10 (0.42) F10KMT2AALDH1A1MEN1KDM4E
SCHEMBL1245593 0.83 F10 (0.53) F10KMT2AALDH1A1MEN1KDM4E
SCHEMBL1244986 0.83 F10 (0.49) F10KMT2AALDH1A1MEN1KDM4E
SCHEMBL1245986 0.81 F10 (0.46) F10KMT2AALDH1A1MEN1KDM4E
SCHEMBL1243741 0.81 F10 (0.46) F10KMT2AALDH1A1MEN1KDM4E
SCHEMBL3381035 0.79 F10 (0.51) F10KMT2AALDH1A1MEN1KDM4E
SCHEMBL1243695 0.78 F10 (0.48) F10KMT2AALDH1A1MEN1KDM4E
SCHEMBL8225153 0.75 F10 (0.42) F10KMT2AALDH1A1MEN1KDM4E
SCHEMBL1243850 0.75 F10 (0.53) F10KMT2AALDH1A1MEN1KDM4E
SCHEMBL1243749 0.75 F10 (0.53) F10KMT2AALDH1A1MEN1KDM4E

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 6 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
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 1315/4885KMT2A 3603/4885ALDH1A1 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.