SCHEMBL6832220

SCHEMBL6832220

O=Nc1ccc(F)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.38
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
MPI P34949 1/20 0.32
HTT P42858 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CES2 O00748 2/20 0.31
CES1 P23141 2/20 0.31
CYP1A2 P05177 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30
THPO P40225 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
SCHEMBL14138229 0.78 CES2 (0.34) PKMMAPTNPC1RAB9AKDM4E
SCHEMBL28489414 0.77 PKM (0.34) PKMKMT2AALDH1A1CYP1A2AHR
SCHEMBL1946132 0.77 CYP3A4 (0.38) PKMKMT2AALDH1A1CYP3A4MAPK1
SCHEMBL92866 0.76 CES2 (0.43) MAPTNPC1KDM4EALDH1A1LMNA
SCHEMBL12762222 0.73 MAPT (0.39) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL22744866 0.73 CES2 (0.31) PKMNPC1RAB9AKDM4EALDH1A1
SCHEMBL2619099 0.73 ALDH1A1 (0.44) ALDH1A1HTTCES2CES1
SCHEMBL22134656 0.73 MEN1 (0.42) PKMKMT2AMAPTNPC1RAB9A
SCHEMBL18163319 0.73 CA3 (0.50) KMT2AMAPTNPC1RAB9AKDM4E
SCHEMBL12028610 0.73 HPGD (0.36) KMT2AMAPTNPC1RAB9ASMN1; SMN2

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
US-11230532-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2022-01-25 US disclosed
US-10822311-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2020-11-03 US disclosed
US-20200239421-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2020-07-30 US disclosed
US-10662162-B2 Pyrimidines and variants thereof, and uses therefor Afferent Pharmaceuticals, Inc. (US) 2020-05-26 US disclosed
US-20190055202-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR AFFERENT PHARMACEUTICALS INC. (US) 2019-02-21 US disclosed
WO-2015167300-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-11-05 WO disclosed
WO-2015014791-A1 BENZIMIDAZOLO[2,1-B][1,3]BENZOTHIAZOLES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2015-02-05 WO disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US 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-11230532-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX7, P2RX1 PKM 1541/4885KMT2A 4228/4885MAPT 4579/4885
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B PKM 2928/4885KMT2A 48/4885MAPT 258/4885
US-10662162-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX7, P2RX1 PKM 1474/4885KMT2A 4194/4885MAPT 4581/4885
US-10822311-B2 Pyrimidines and variants thereof, and uses therefor P2RX3, P2RX5, P2RX4 PKM 1826/4885KMT2A 3955/4885MAPT 4355/4885
US-20190055202-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR P2RX3, P2RX7, P2RX1 PKM 1474/4885KMT2A 4194/4885MAPT 4581/4885
US-20200239421-A1 PYRIMIDINES AND VARIANTS THEREOF, AND USES THEREFOR P2RX3, P2RX7, P2RX1 PKM 1541/4885KMT2A 4228/4885MAPT 4579/4885

“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.