SCHEMBL20073053

SCHEMBL20073053

Nc1cnc2ccc(Br)cc2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.49
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TNF P01375 1/20 0.42
CHEK1 O14757 1/20 0.41
PIM1 P11309 1/20 0.41
AKT1 P31749 1/20 0.41
FLT3 P36888 1/20 0.41
PIM3 Q86V86 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
SCHEMBL22323491 0.86 HTT (0.41) HTTACHENR4A2BACE1
SCHEMBL18449315 0.81 TNF (0.50) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16224287 0.81 BCHE (0.45) HTTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL17578990 0.80 ALK (0.43) HTTSMN1; SMN2LMNAALDH1A1CHEK1
SCHEMBL25390691 0.79 CYP1A2 (0.43) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1557613 0.79 TNF (0.42) HTTSMN1; SMN2LMNAALDH1A1TNF
SCHEMBL359724 0.79 CYP1A2 (0.43) HTTCYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL27996151 0.79 ALK (0.42) HTTSMN1; SMN2LMNAALDH1A1CHEK1
SCHEMBL14899569 0.79 TNF (0.51) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL442137 0.79 HTT (0.49) HTTCYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526220-B1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE US HEALTH (US) 2025-06-11 EP disclosed
CN-118632843-A Pyridine derivative and application thereof 四川汇宇制药股份有限公司 2024-09-10 CN disclosed
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 US disclosed
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 US disclosed
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-12 US disclosed
WO-2023165581-A1 PYRIDINE DERIVATIVE AND USE THEREOF 四川汇宇制药股份有限公司 2023-09-07 WO disclosed
US-20210246137-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-08-12 US disclosed
US-10988472-B2 Compounds and method for blocking transmission of malarial parasite THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-04-27 US disclosed
WO-2019217957-A1 QUINOLINE COMPOUNDS AND THEIR PREPARATION AND USE AS ANTIMALARIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-11-14 WO disclosed
US-20190315740-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-10-17 US disclosed
EP-3526220-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2019-08-21 EP disclosed
WO-2018071836-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-04-19 WO disclosed
WO-2018071836-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-04-19 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 (4 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-20190315740-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE PLK1, AURKB, AURKA HTT 4147/4885CYP1A2 1038/4885CYP2D6 2082/4885
US-10988472-B2 Compounds and method for blocking transmission of malarial parasite PLK1, AURKB, AURKA HTT 4147/4885CYP1A2 1038/4885CYP2D6 2082/4885
US-11753408-B2 Compounds and method for blocking transmission of malarial parasite PLK1, HSP90B1, CEP170 HTT 3506/4885CYP1A2 1429/4885CYP2D6 2149/4885
US-20210246137-A1 COMPOUNDS AND METHOD FOR BLOCKING TRANSMISSION OF MALARIAL PARASITE PLK1, HSP90B1, CEP170 HTT 3506/4885CYP1A2 1429/4885CYP2D6 2149/4885

“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.