SCHEMBL10314435

SCHEMBL10314435

CCCCn1c(=O)c2c(OCCOCC)c(C(=O)NCCN(C(C)C)C(C)C)sc2c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.44
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
UBE2N P61088 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MITF O75030 1/20 0.40
ATM Q13315 1/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37
CNR2 P34972 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL1062810 0.95 RAB9A (0.44) RAB9AKMT2AMEN1UBE2NKDM4E
SCHEMBL10314433 0.91 KMT2A (0.49) RAB9AKMT2AMEN1UBE2NKDM4E
SCHEMBL1063542 0.91 RAB9A (0.51) RAB9AKMT2AMEN1KDM4EMITF
SCHEMBL3399898 0.90 KMT2A (0.45) RAB9AKMT2AKDM4EATMTP53
SCHEMBL10314432 0.89 RAB9A (0.47) RAB9AKMT2AMEN1UBE2NKDM4E
SCHEMBL3401200 0.88 RAB9A (0.43) RAB9AKMT2AMEN1UBE2NKDM4E
SCHEMBL1064450 0.87 KMT2A (0.55) RAB9AKMT2AMEN1KDM4ETP53
SCHEMBL10314362 0.86 KMT2A (0.47) KMT2AMEN1UBE2NKDM4EATM
Trifluoroacetic Acid SCHEMBL1061047 0.86 KMT2A (0.47) RAB9AKMT2AMEN1UBE2NKDM4E
SCHEMBL1063014 0.85 RAB9A (0.45) RAB9AKMT2AMEN1KDM4ELMNA

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
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 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 (2 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 RAB9A 2056/4885KMT2A 453/4885MEN1 1922/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 RAB9A 2411/4885KMT2A 386/4885MEN1 2094/4885

“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.