SCHEMBL3435852

SCHEMBL3435852

O=Cc1ccc(Sc2nc3ccccc3[nH]2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.58
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.46
STAT3 P40763 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 1/20 0.45
POLB P06746 1/20 0.43
TXN P10599 2/20 0.42
ATM Q13315 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
EPHX2 P34913 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL2107585 0.82 MYC (0.44) MYCKMT2AALDH1A1MAPTMEN1
SCHEMBL2105948 0.78 KMT2A (0.44) MYCKMT2AALDH1A1MAPTMEN1
SCHEMBL17821425 0.75 MYC (1.00) MYCKMT2AALDH1A1MAPTMEN1
SCHEMBL17821422 0.75 MYC (1.00) MYCKMT2AALDH1A1MAPTMEN1
SCHEMBL3792726 0.75 BCHE (0.68) MYCKMT2AALDH1A1MAPTMEN1
SCHEMBL21709510 0.74 MYC (0.66) MYCKMT2AALDH1A1MAPTMEN1
SCHEMBL17821366 0.72 MYC (0.54) MYCKMT2AALDH1A1MAPTMEN1
SCHEMBL9097160 0.70 ALDH1A1 (0.54) MYCKMT2AALDH1A1MAPTMEN1
SCHEMBL12060970 0.69 KMT2A (0.46) MYCKMT2AALDH1A1MAPTMEN1
SCHEMBL2100202 0.69 MYC (0.67) MYCKMT2AALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200048276-A9 MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-02-13 US disclosed
US-20200048276-A9 MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-02-13 US disclosed
US-20180291035-A1 MYC MODULATORS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-10-11 US disclosed
US-10017520-B2 Myc modulators and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-07-10 US disclosed
US-10017520-B2 Myc modulators and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-07-10 US disclosed
US-20160168165-A1 MYC MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 US disclosed
US-20160168165-A1 MYC MODULATORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-16 US disclosed
WO-2016094688-A1 FUSED 1,3-AZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-06-16 WO disclosed
US-8163768-B2 4-(4-Hydroxy-3-methyl-phenyl)-2,4,6,7,8,9-hexahydro-pyrazolo[3,4-b]-1,7-naphthyridin-5-one; inhibiting Aurora kinase; inhibiting the proliferation of tumor cells; cancer, psoriasis, leukaemia and lupus AVENTIS PHARMA S.A.. (FR) 2012-04-24 US disclosed
US-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them AVENTIS PHARMA S.A. (FR) 2008-10-23 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 (5 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-20160168165-A1 MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 MYC 1/4885KMT2A 1253/4885ALDH1A1 2650/4885
US-20080261969-A1 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them DPYD, DHPS, QDPR MYC 3202/4885KMT2A 3525/4885ALDH1A1 191/4885
US-20200048276-A9 MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 MYC 1/4885KMT2A 1253/4885ALDH1A1 2650/4885
US-20180291035-A1 MYC MODULATORS AND USES THEREOF MYC, MYCBP, MYCBP2 MYC 1/4885KMT2A 1253/4885ALDH1A1 2650/4885
US-10017520-B2 Myc modulators and uses thereof MYC, MYCBP, MYCBP2 MYC 1/4885KMT2A 1253/4885ALDH1A1 2650/4885

“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.