SCHEMBL13846211

SCHEMBL13846211

CCc1ccc(-c2nnn(C)n2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
TSHR P16473 3/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
TP53 P04637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 4/20 0.47
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47

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
SCHEMBL11955729 0.86 KMT2A (0.48) KMT2ATSHRHPGDHSD17B10TP53
SCHEMBL19771902 0.86 KMT2A (0.47) KMT2ATSHRHPGDHSD17B10TP53
SCHEMBL16298846 0.84 HDAC6 (0.49) KMT2ATSHRHPGDHSD17B10LMNA
SCHEMBL7018046 0.84 KMT2A (0.46) KMT2ATSHRHPGDHSD17B10LMNA
SCHEMBL7471122 0.84 SMN1; SMN2 (0.46) KMT2ATSHRHPGDHSD17B10LMNA
SCHEMBL646758 0.84 RAB9A (0.46) KMT2ATSHRHPGDHSD17B10TP53
SCHEMBL10066462 0.81 LTA4H (0.48) KMT2ATSHRHPGDHSD17B10LMNA
SCHEMBL18367843 0.81 SMN1; SMN2 (0.44) KMT2ATSHRHPGDHSD17B10TP53
SCHEMBL19771915 0.81 SMN1; SMN2 (0.44) KMT2ATSHRHPGDHSD17B10TP53
SCHEMBL20178540 0.80 IDO1 (0.45) KMT2AALDH1A1LMNAHTTTDP1

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-10865215-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-12-15 US disclosed
US-20200223867-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2020-07-16 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-01-12 US disclosed
WO-2014179564-A1 THIAZALOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2014-11-06 WO disclosed
WO-2009063365-A1 AZETIDINES AS EP2 ANTAGONISTS PFIZER LIMITED (GB) 2009-05-22 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 (4 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-10865215-B2 Benzodiazepine derivatives as RSV inhibitors GABRA5, GABRA1, GABBR2 KMT2A 1493/4885TSHR 1396/4885HPGD 869/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 KMT2A 3039/4885TSHR 2808/4885HPGD 3159/4885
US-20200223867-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS GABRA5, GABRA1, GABBR2 KMT2A 1493/4885TSHR 1396/4885HPGD 869/4885
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA KMT2A 2844/4885TSHR 206/4885HPGD 758/4885

“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.