SCHEMBL2847862

SCHEMBL2847862

O=C(N1CCc2cc([N+](=O)[O-])c(Cl)cc2C1)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.55
ESR2 Q92731 5/20 0.55
GAA P10253 2/20 0.44
PKM P14618 1/20 0.43
HPGD P15428 2/20 0.41
RAB9A P51151 1/20 0.39
ABHD6 Q9BV23 4/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL29989725 1.00 ESR1 (0.55) ESR1ESR2GAAPKMHPGD
SCHEMBL25229709 1.00 ESR1 (0.55) ESR1ESR2GAAPKMHPGD
SCHEMBL30412662 0.93 ESR1 (0.47) ESR1ESR2GAAPKMHPGD
SCHEMBL25231276 0.93 ESR1 (0.47) ESR1ESR2GAAPKMHPGD
SCHEMBL25204704 0.91 ESR1 (0.45) ESR1ESR2GAAPKMHPGD
SCHEMBL31164761 0.86 ESR1 (0.56) ESR1ESR2GAAPKMHPGD
SCHEMBL28831839 0.86 ESR1 (0.56) ESR1ESR2GAAPKMHPGD
SCHEMBL29846862 0.86 ESR1 (0.56) ESR1ESR2GAAPKMHPGD
SCHEMBL4171865 0.86 ESR1 (0.53) ESR1ESR2GAAPKMHPGD
SCHEMBL10067649 0.85 ESR2 (0.68) ESR1ESR2PKMHPGDABHD6

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
US-20250144094-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. 2025-05-08 US disclosed
EP-4433059-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF Erasca, Inc. (US) 2024-09-25 EP disclosed
EP-4320121-A2 2,4-DIAMINOPYRIMIDINE DERIVATIVES AS ULK1/2 INHIBITORS AND THEIR USE THEREOF LifeArc (GB) 2024-02-14 EP disclosed
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 WO disclosed
WO-2023215494-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-11-09 WO disclosed
WO-2023087027-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ERASCA, INC. (US) 2023-05-19 WO disclosed
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
US-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2013-04-18 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
US-8318702-B2 Di(arylamino)aryl compounds ASTELLAS PHARMA INC. (JP) 2012-11-27 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ASTELLAS PHARMA INC. (JP) 2010-04-22 US disclosed
EP-2172461-A1 DI(ARYLAMINO)ARYL COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 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-20130096100-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ESR1 814/4885ESR2 1558/4885GAA 2834/4885
US-20250144094-A1 THIOPHENE ULK1/2 INHIBITORS AND THEIR USE THEREOF ULK1, ULK2, ULK3 ESR1 3000/4885ESR2 2354/4885GAA 2663/4885
US-20100099658-A1 DI(ARYLAMINO)ARYL COMPOUND ERBB4, EGFR, ALK ESR1 814/4885ESR2 1558/4885GAA 2834/4885

“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.