SCHEMBL12440668

SCHEMBL12440668

Cn1ccnc1C(Cl)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
LPO P22079 1/20 0.44
TSHR P16473 2/20 0.38
FDPS P14324 2/20 0.34
PKM P14618 2/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HPGD P15428 1/20 0.30
BRD4 O60885 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL419709 0.78 KMT2A (0.50) KMT2ALPOTSHRFDPSPKM
SCHEMBL22863264 0.78 KMT2A (0.50) KMT2ALPOTSHRFDPSPKM
SCHEMBL6251779 0.76 KMT2A (0.48) KMT2ALPOTSHRFDPSPKM
Hydrochloric Acid SCHEMBL16540240 0.76 KMT2A (0.48) KMT2ALPOTSHRFDPSPKM
SCHEMBL11050545 0.74 KMT2A (0.56) KMT2ALPOTSHRFDPSPKM
SCHEMBL8415398 0.74 KMT2A (0.56) KMT2ALPOTSHRFDPSPKM
SCHEMBL17544816 0.74 KMT2A (0.43) KMT2ALPOTSHRFDPSPKM
SCHEMBL31708156 0.71 KMT2A (0.49) KMT2ALPOTSHRFDPSPKM
SCHEMBL15193512 0.71 KMT2A (0.49) KMT2ALPOTSHRFDPSPKM
SCHEMBL13946295 0.71 KMT2A (0.44) KMT2ALPOTSHRFDPSPKM

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-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-02-18 US disclosed
US-9221836-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-29 US disclosed
CN-104902751-A Method for promoting plant growth SUMITOMO CHEMICAL CO 2015-09-09 CN disclosed
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-07-09 US disclosed
US-9045436-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-06-02 US disclosed
US-8664380-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-04 US disclosed
US-8466282-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-18 US disclosed
US-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2012-10-18 US disclosed
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
US-20100137587-A1 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-06-03 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-20120264733-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE KMT2A 1804/4885LPO 447/4885TSHR 2597/4885
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE KMT2A 2988/4885LPO 654/4885TSHR 2514/4885
US-20150191486-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE KMT2A 1804/4885LPO 447/4885TSHR 2597/4885
US-20160046601-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE KMT2A 1804/4885LPO 447/4885TSHR 2597/4885
US-20100137587-A1 Heterocyclic compound and use thereof REN, AGT, ACE KMT2A 1804/4885LPO 447/4885TSHR 2597/4885

“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.