SCHEMBL627230

SCHEMBL627230

Nc1ncccc1C(=O)NO

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.65
NAPRT Q6XQN6 1/20 0.63
P2RX7 Q99572 1/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MPO P05164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
VCP P55072 5/20 0.47
HDAC1 Q13547 3/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MMP3 P08254 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
GRM5 P41594 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
SHMT2 P34897 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
SCHEMBL26693008 0.85 P2RX7 (0.66) PRKCINAPRTP2RX7KDM4EVCP
SCHEMBL1232303 0.83 PRKCI (0.63) PRKCINAPRTP2RX7GAAVCP
SCHEMBL8198020 0.79 NAPRT (0.73) PRKCINAPRTP2RX7KDM4ESMN1; SMN2
SCHEMBL28765983 0.79 PRKCI (0.58) PRKCINAPRTP2RX7KDM4ESMN1; SMN2
SCHEMBL29520153 0.79 PRKCI (0.58) PRKCINAPRTP2RX7KDM4EVCP
SCHEMBL29965281 0.79 PRKCI (1.00) PRKCINAPRTKDM4EGAAVCP
SCHEMBL13958741 0.79 PRKCI (0.58) PRKCINAPRTP2RX7KDM4ESMN1; SMN2
SCHEMBL13973141 0.79 PRKCI (0.58) PRKCINAPRTP2RX7KDM4EVCP
SCHEMBL29407228 0.79 PRKCI (0.58) PRKCINAPRTP2RX7KDM4ESMN1; SMN2
SCHEMBL11538360 0.79 PRKCI (0.58) PRKCINAPRTP2RX7KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
US-10654874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-19 US disclosed
EP-2603513-B1 HETEROCYCLIC COMPOUND AND USE THEREOF AS AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATOR TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-29 US disclosed
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-14 US disclosed
US-9884875-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-06 US disclosed
US-20170022222-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-26 US disclosed
US-9499568-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-22 US disclosed
US-20150353578-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-10 US disclosed
US-9150591-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-06 US disclosed
US-20150073137-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-03-12 US disclosed
US-8916551-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
US-8778934-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-20140080817-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-20 US disclosed
US-8575154-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-25 US disclosed
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-18 US disclosed
EP-2603513-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2013-06-19 EP disclosed
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
WO-2012020848-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-16 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 (11 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-20140080817-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A PRKCI 2844/4885NAPRT 623/4885P2RX7 346/4885
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A PRKCI 2844/4885NAPRT 623/4885P2RX7 346/4885
US-20130190291-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A PRKCI 2844/4885NAPRT 623/4885P2RX7 346/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A PRKCI 2844/4885NAPRT 623/4885P2RX7 346/4885
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A PRKCI 2844/4885NAPRT 623/4885P2RX7 346/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A PRKCI 2844/4885NAPRT 623/4885P2RX7 346/4885
US-20130184266-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A PRKCI 2844/4885NAPRT 623/4885P2RX7 346/4885
US-20150073137-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A PRKCI 2844/4885NAPRT 623/4885P2RX7 346/4885
US-20170022222-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A PRKCI 2844/4885NAPRT 623/4885P2RX7 346/4885
US-20150353578-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A PRKCI 2844/4885NAPRT 623/4885P2RX7 346/4885
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A PRKCI 2844/4885NAPRT 623/4885P2RX7 346/4885

“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.