SCHEMBL8309828

SCHEMBL8309828

Cc1cc(F)cc(F)c1Br

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.40
KDM1A O60341 4/20 0.35
KDM1B Q8NB78 2/20 0.35
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ACHE P22303 1/20 0.31
AGTR1 P30556 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL2841151 0.86 RAPGEF4 (0.34) RAPGEF4KDM1AKDM1BPTGS1PTGS2
SCHEMBL919665 0.80 KDM1A (0.42) RAPGEF4KDM1AKDM1BALDH1A1CES2
SCHEMBL29863733 0.79 RAPGEF4 (0.40) RAPGEF4KDM1AKDM1B
SCHEMBL13550059 0.79 NQO2 (0.32) KDM1AKDM1BACHE
SCHEMBL2226316 0.79 APEX1 (0.35) RAPGEF4KDM1AKDM1BPTGS1PTGS2
SCHEMBL29664557 0.79 NQO2 (0.32) KDM1AKDM1BACHE
SCHEMBL1043169 0.79 RAPGEF4 (0.40) RAPGEF4KDM1AKDM1B
SCHEMBL6553272 0.77 KDM1A (0.41) RAPGEF4KDM1AKDM1BALDH1A1CES2
SCHEMBL24724647 0.75 PTGS1 (0.38) PTGS1PTGS2ALDH1A1
SCHEMBL13550060 0.75 RAPGEF4 (0.32) RAPGEF4SMN1; SMN2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-05-25 US disclosed
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-04-06 US disclosed
EP-3134411-B1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2021-06-30 EP disclosed
US-10844044-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-10654884-B2 Purine derivatives as CD73 inhibitors for the treatment of cancer BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-05-19 US disclosed
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-04-02 US disclosed
EP-3134411-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER Vitae Pharmaceuticals, Inc. (US) 2017-03-01 EP disclosed
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-02-16 US disclosed
WO-2015164573-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER VITAE PHARMACEUTICALS, INC. (US) 2015-10-29 WO disclosed
US-20100010058-A1 Azoline Compounds for Combating Arthropod Pests BASF SE (DE) 2010-01-14 US disclosed
US-20080312085-A1 Pesticidal Compositions BASF SE (DE) 2008-12-18 US disclosed
US-20080312085-A1 Pesticidal Compositions BASF SE (DE) 2008-12-18 US disclosed
WO-2007147701-A1 AZOLINE COMPOUNDS FOR COMBATING ARTHROPOD PESTS BASF SE (DE) 2007-12-27 WO disclosed
WO-2007071585-A1 PESTCIDAL COMPOSITIONS BASF SE (DE) 2007-06-28 WO disclosed
EP-0929537-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1999-07-21 EP disclosed
WO-1998007711-A1 TROPONYL PIPERAZINES AS SELECTIVE DOPAMINE D4 RECEPTOR LIGANDS HOECHST MARION ROUSSEL, INC. (US) 1998-02-26 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-10654884-B2 Purine derivatives as CD73 inhibitors for the treatment of cancer ENTPD5, NT5E, ENTPD1 RAPGEF4 822/4885KDM1A 2495/4885KDM1B 3018/4885
US-20200102288-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 RAPGEF4 1589/4885KDM1A 167/4885KDM1B 163/4885
US-20170044203-A1 PURINE DERIVATIVES AS CD73 INHIBITORS FOR THE TREATMENT OF CANCER ENTPD5, ENTPD1, NT5E RAPGEF4 926/4885KDM1A 2122/4885KDM1B 2554/4885
US-20230159508-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE RIPK1, RIPK2, RIPK4 RAPGEF4 620/4885KDM1A 2716/4885KDM1B 3134/4885
US-20230103791-A1 2,3-DIHYDROQUINAZOLIN COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN1A, SCN1B RAPGEF4 2014/4885KDM1A 2193/4885KDM1B 2274/4885
US-10844044-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 RAPGEF4 1556/4885KDM1A 153/4885KDM1B 143/4885
US-20100010058-A1 Azoline Compounds for Combating Arthropod Pests NR0B1, NR4A1, NR4A3 RAPGEF4 1810/4885KDM1A 1026/4885KDM1B 1512/4885
US-20080312085-A1 Pesticidal Compositions ANXA1, PRDX1, PRDX2 RAPGEF4 2837/4885KDM1A 473/4885KDM1B 638/4885

“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.