SCHEMBL14343548

SCHEMBL14343548

O=c1[nH]c(-c2ccccc2Cl)nc2cc(Br)sc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GUSB P08236 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PTGES O14684 7/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GPR55 Q9Y2T6 1/20 0.48
▸ PIM1 P11309 6/20 0.46
▸ CSNK2A2 P19784 6/20 0.46
▸ CSNK2B P67870 6/20 0.46
▸ PIM3 Q86V86 6/20 0.46
▸ PIM2 Q9P1W9 6/20 0.46
▸ NPBWR1 P48145 1/20 0.43
▸ CDC7 O00311 1/20 0.41
▸ CCNE1 P24864 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
SCHEMBL14343436 0.81 CDC7 (0.56) GUSBALDH1A1MEN1KMT2AKDM4E
SCHEMBL28051087 0.77 GUSB (0.61) GUSBALDH1A1MEN1KMT2APTGES
SCHEMBL14343746 0.76 NPC1 (0.57) ALDH1A1KMT2AKDM4ENPC1RAB9A
SCHEMBL14343580 0.76 CDC7 (0.75) CDC7CCNE1CDK2ROCK1DBF4
SCHEMBL8623127 0.73 GUSB (1.00) GUSBALDH1A1PTGESKDM4ENPC1
SCHEMBL14343652 0.69 SPR (0.50) KDM4ERAB9ACDC7CCNE1CDK2
SCHEMBL14343373 0.69 CDC7 (0.57) ALDH1A1KDM4ENPC1RAB9APIM1
SCHEMBL5480405 0.69 ALDH1A1 (0.46) GUSBALDH1A1MEN1KMT2APTGES
SCHEMBL14343350 0.69 RAB9A (0.59) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL11380024 0.68 GUSB (0.67) GUSBALDH1A1MEN1KMT2APTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 — — EP disclosed
EP-3533797-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-09-04 — — EP disclosed
EP-2540728-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-04-10 — — EP disclosed
US-20170209452-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-07-27 — — US disclosed
US-9655900-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-23 — — US disclosed
US-20160310494-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-10-27 — — US disclosed
US-9388195-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-07-12 — — US disclosed
US-20150158882-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2015-06-11 — — US disclosed
US-8933069-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-13 — — US disclosed
US-8921354-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-30 — — US disclosed
US-20140235615-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-21 — — US disclosed
US-20140228352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-14 — — US disclosed
US-8722660-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 — — US disclosed
US-20130029969-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-31 — — US disclosed
EP-2540728-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2013-01-02 — — 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 (6 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-20160310494-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT GUSB 621/4885ALDH1A1 71/4885MEN1 84/4885
US-20130029969-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT GUSB 621/4885ALDH1A1 71/4885MEN1 84/4885
US-20150158882-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT GUSB 621/4885ALDH1A1 71/4885MEN1 84/4885
US-20140228352-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT GUSB 621/4885ALDH1A1 71/4885MEN1 84/4885
US-20140235615-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT GUSB 621/4885ALDH1A1 71/4885MEN1 84/4885
US-20170209452-A1 HETEROCYCLIC COMPOUND TP53, VHL, MGMT GUSB 621/4885ALDH1A1 71/4885MEN1 84/4885

“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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