Sugi Predict

Sugi Predict / Compounds / SCHEMBL3493221

SCHEMBL3493221

SCHEMBL3493221

O=C(O)c1sc2ncccc2c1Br

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ IKBKB O14920 1/20 0.54
▸ CHUK O15111 1/20 0.54
▸ LIMK1 P53667 1/20 0.54
▸ TP53 P04637 2/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ THRB P10828 1/20 0.41
▸ KAT2B Q92831 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL11341595 0.85 LIMK1 (0.69) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL10405198 0.81 KDM4E (0.57) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL9539962 0.81 KDM4E (0.57) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL15931649 0.80 KDM4E (0.56) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL15417422 0.80 KDM4E (0.56) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL3836628 0.80 LIMK1 (0.77) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL843920 0.80 KDM4E (0.56) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL1266041 0.79 KDM4E (0.56) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL4851436 0.76 KDM4E (0.67) KDM4EALDH1A1IKBKBCHUKLIMK1
SCHEMBL4851353 0.76 KDM4E (0.52) KDM4EALDH1A1IKBKBCHUKLIMK1

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-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 — — US disclosed
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 — — US disclosed
US-9238026-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2016-01-19 — — US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 — — US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 — — US disclosed
US-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2014-05-08 — — US disclosed
WO-2012137181-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES LABORATOIRE BIODIM (FR) 2012-10-11 — — WO disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 — — US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 — — US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 — — US disclosed
US-20100093777-A1 SPIRO-RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 — — US disclosed
US-20100093777-A1 SPIRO-RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 — — US disclosed
US-20100093777-A1 SPIRO-RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 — — US disclosed
EP-2128163-A1 SPIRO-RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 — — EP disclosed
EP-2128163-A1 SPIRO-RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 — — EP disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 — — EP disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 — — EP disclosed
EP-0004319-B1 N-(PYRIDOTHIENOPYRAZOL) AMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-08-05 — — EP disclosed
US-4220776-A TREATMENT OF RHINOVIRAL INFECTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-02 — — US disclosed
EP-0004319-A1 N-(pyridothienopyrazol) amides, process for their preparation and pharmaceutical compositions containing them E.I. DU PONT DE NEMOURS AND COMPANY (US) 1979-10-03 — — EP 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-20140128383-A1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES POLRMT, MAVS, EIF2AK2 KDM4E 1408/4885ALDH1A1 4105/4885IKBKB 336/4885
US-20100093777-A1 SPIRO-RING COMPOUND ACACA, PC, ACACB KDM4E 1490/4885ALDH1A1 331/4885IKBKB 874/4885
US-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B KDM4E 1143/4885ALDH1A1 503/4885IKBKB 567/4885

“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.