SCHEMBL416690

SCHEMBL416690

Cc1c(-c2ccc(N)c(N)c2)ccc(N)c1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 9/20 0.43
ALOX15 P16050 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 8/20 0.41
TSHR P16473 6/20 0.41
POLB P06746 3/20 0.41
KCNH2 Q12809 2/20 0.38
CYP17A1 P05093 2/20 0.34
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
HSD17B10 Q99714 4/20 0.33
CD44 P16070 1/20 0.32
NR4A1 P22736 1/20 0.32
KDM4E B2RXH2 3/20 0.32

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
SCHEMBL9285279 0.80 TDP1 (0.48) TDP1MEN1KMT2ACYP3A4ALOX15
SCHEMBL3981923 0.80 ALDH1A1 (0.48) TDP1MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL9285276 0.79 POLB (0.62) TDP1MEN1KMT2ACYP3A4ALOX15
SCHEMBL3976718 0.78 ALDH1A1 (0.40) TDP1MEN1KMT2ACYP3A4ALOX15
SCHEMBL6834129 0.77 HSD17B10 (0.48) TDP1CYP3A4ALDH1A1TSHRPOLB
Biphenyl SCHEMBL17969155 0.75 HSD17B10 (0.46) TDP1MEN1KMT2ACYP3A4ALOX15
SCHEMBL9751003 0.75 TDP1 (0.52) TDP1MEN1KMT2ACYP3A4ALOX15
SCHEMBL3321576 0.75 ALDH1A1 (0.48) TDP1MEN1KMT2ACYP3A4ALOX15
SCHEMBL2790053 0.75 MAPT (0.45) TDP1KMT2ACYP3A4SMN1; SMN2TP53
SCHEMBL11217857 0.73 TDP1 (0.45) TDP1MEN1KMT2ACYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9763925-B2 Antibacterial compounds SUMMIT THERAPEUTICS PLC (GB) 2017-09-19 US disclosed
EP-3095783-A1 ANTIBACTERIAL COMPOUNDS Summit Corporation Plc (GB) 2016-11-23 EP disclosed
US-20160184283-A1 ANTIBACTERIAL COMPOUNDS SUMMIT (OXFORD) LIMITED (GB) 2016-06-30 US disclosed
EP-2907813-B1 Antibacterial pharmaceutical compositions SUMMIT THERAPEUTICS PLC (GB) 2016-04-27 EP disclosed
US-9314456-B2 Antibacterial compounds SUMMIT THERAPEUTICS PLC (GB) 2016-04-19 US disclosed
EP-2907813-A1 Antibacterial Compound Summit Corporation Plc (GB) 2015-08-19 EP disclosed
US-20150150861-A1 ANTIBACTERIAL COMPOUNDS SUMMIT (OXFORD) LIMITED (GB) 2015-06-04 US disclosed
US-8975416-B2 Antibacterial compounds SUMMIT CORPORATION PLC (GB) 2015-03-10 US disclosed
EP-2373631-B1 ANTIBACTERIAL COMPOUNDS SUMMIT CORP PLC (GB) 2015-02-25 EP disclosed
US-20120020950-A1 ANTIBACTERIAL COMPOUNDS SUMMIT CORPORATION PLC 2012-01-26 US disclosed
EP-2373631-A2 ANTIBACTERIAL COMPOUNDS Summit Corporation Plc (GB) 2011-10-12 EP disclosed
WO-2010063996-A2 ANTIBACTERIAL COMPOUNDS SUMMIT CORPORATION PLC (GB) 2010-06-10 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 (3 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-20160184283-A1 ANTIBACTERIAL COMPOUNDS MRPL21, RPN2, ALPI TDP1 4052/4885MEN1 3400/4885KMT2A 4829/4885
US-20120020950-A1 ANTIBACTERIAL COMPOUNDS RPN2, MRPL21, ALPI TDP1 4050/4885MEN1 3476/4885KMT2A 4829/4885
US-20150150861-A1 ANTIBACTERIAL COMPOUNDS MRPL21, RPN2, ALPI TDP1 4052/4885MEN1 3400/4885KMT2A 4829/4885

“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.