SCHEMBL2332619

SCHEMBL2332619

N#CCN1CCC(F)CC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.33
MAOA P21397 5/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
LMNA P02545 1/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL26685539 0.86
SCHEMBL24269649 0.86
SCHEMBL3968340 0.83 GNAI3 (0.39) MAOBMAOAALDH1A1MAPTPKM
Hydrochloric Acid SCHEMBL3430097 0.81 GNAI3 (0.42) MAOBMAOAALDH1A1MAPTPKM
SCHEMBL22691891 0.78 MAOB (0.36) MAOBMAOAALDH1A1MAPTPKM
SCHEMBL3897207 0.78 GPR119 (0.50) ALDH1A1MAPTJAK2JAK1TYK2
SCHEMBL665735 0.78 ALDH1A1 (0.33) ALDH1A1MAPTPKMJAK2JAK1
SCHEMBL665736 0.78 ACHE (0.43) ALDH1A1POLB
SCHEMBL7137154 0.78 ALDH1A1 (0.50) ALDH1A1MAPTPKMLMNAPOLB
SCHEMBL2576487 0.78 ALDH1A1 (0.50) ALDH1A1MAPTPKMLMNAPOLB

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002233-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2021-01-07 US disclosed
US-10766865-B2 PKM2 modulators and methods for their use SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-09-08 US disclosed
US-10766865-B2 PKM2 modulators and methods for their use SUMITOMO DAINIPPON PHARMA ONCOLOGY, INC. (US) 2020-09-08 US disclosed
US-20200109120-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2020-04-09 US disclosed
US-10472328-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-11-12 US disclosed
US-10472328-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-11-12 US disclosed
US-20190119219-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2019-04-25 US disclosed
US-20190119219-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE SUMITOMO PHARMA ONCOLOGY, INC. 2019-04-25 US disclosed
US-10207996-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-02-19 US disclosed
US-10207996-B2 PKM2 modulators and methods for their use TOLERO PHARMACEUTICALS, INC. (US) 2019-02-19 US disclosed
WO-2014062838-A2 PKM2 MODULATORS AND METHODS FOR THEIR USE TOLERO PHARMACEUTICALS, INC. (US) 2014-04-24 WO disclosed
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 US disclosed
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 US disclosed
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-12-22 US disclosed
EP-2356114-A1 AMINOALKYL-SUBSTITUTED COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054762-A1 AMINOALKYL-SUBSTITUTED COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
WO-2010054762-A1 AMINOALKYL-SUBSTITUTED COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 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 (8 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-10766865-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM MAOB 3541/4885MAOA 3784/4885ALDH1A1 2333/4885
US-10472328-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM MAOB 3541/4885MAOA 3784/4885ALDH1A1 2333/4885
US-20110312930-A1 Aryl compounds with aminoalkyl substituents and their use VHL, HIF1AN, HIF1A MAOB 503/4885MAOA 785/4885ALDH1A1 297/4885
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 MAOB 2166/4885MAOA 2289/4885ALDH1A1 2773/4885
US-10207996-B2 PKM2 modulators and methods for their use PDK1, PDK2, PKM MAOB 3541/4885MAOA 3784/4885ALDH1A1 2333/4885
US-20200109120-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM MAOB 3541/4885MAOA 3784/4885ALDH1A1 2333/4885
US-20190119219-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM MAOB 3541/4885MAOA 3784/4885ALDH1A1 2333/4885
US-20210002233-A1 PKM2 MODULATORS AND METHODS FOR THEIR USE PDK1, PDK2, PKM MAOB 3541/4885MAOA 3784/4885ALDH1A1 2333/4885

“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.