SCHEMBL3079283

SCHEMBL3079283

CCOC(=O)c1cc(Br)ncc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JMJD6 Q6NYC1 1/20 0.56
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CA2 P00918 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GLA P06280 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
SCHEMBL11937853 0.88 JMJD6 (0.47) JMJD6TSHRMEN1KMT2AKDM4E
SCHEMBL2249995 0.84 TSHR (0.46) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL2025343 0.82 SOS1 (0.40) JMJD6TSHRKMT2AKDM4EALDH1A1
SCHEMBL19329324 0.81 DPP4 (0.45) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL18916810 0.81 JMJD6 (0.56) JMJD6TSHRMEN1KMT2AKDM4E
SCHEMBL24746841 0.81 ALDH1A1 (0.49) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL21530434 0.81 JMJD6 (0.56) JMJD6TSHRMEN1KMT2AKDM4E
SCHEMBL30427332 0.81 DPP4 (0.45) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL29709735 0.81 NPC1 (0.46) TSHRMEN1KMT2AKDM4EALDH1A1
SCHEMBL18341514 0.81 NPC1 (0.46) TSHRMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021032323-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES GALAPAGOS NV (BE) 2021-02-25 — — WO disclosed
WO-2021032323-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES GALAPAGOS NV (BE) 2021-02-25 — — WO disclosed
EP-3782997-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2021-02-24 — — EP disclosed
EP-3782997-A1 FUSED PYRIMIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROTIC DISEASES Galapagos N.V. (BE) 2021-02-24 — — EP disclosed
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 — — US disclosed
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-11-15 — — US disclosed
US-8227500-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-07-24 — — US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 — — US disclosed
EP-2133331-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 — — 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 (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-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, CBR1 JMJD6 605/4885TSHR 2691/4885MEN1 3974/4885
US-20120289506-A1 5-MEMBERED NITROGEN CONTAINING HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME XDH, DAO, DDO JMJD6 639/4885TSHR 1777/4885MEN1 4123/4885

“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.

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