SCHEMBL16708689

SCHEMBL16708689

Cn1nnc(-c2ccccc2)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
DHFR P00374 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.41
CSF1R P07333 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
PRKCQ Q04759 1/20 0.41
LRRK2 Q5S007 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
PTGER4 P35408 1/20 0.41
RECQL P46063 2/20 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
SCHEMBL30684648 0.86 POLB (0.50) POLBDHFRKDM4EALDH1A1CSF1R
SCHEMBL12989454 0.85 NPC1 (0.41) POLBKDM4EMEN1KMT2ATP53
SCHEMBL14711183 0.85 LPAR1 (0.48) POLBALDH1A1HPGDKMT2ALPAR1
SCHEMBL15897047 0.85 TPMT (0.37) POLBDHFRKDM4EALDH1A1HPGD
SCHEMBL25340747 0.80 TDP1 (0.44) POLBKDM4EALDH1A1KMT2ARAB9A
SCHEMBL20027814 0.80 SMN1; SMN2 (0.55) ALDH1A1MEN1KMT2ALMNATP53
SCHEMBL28469826 0.80 KMO (0.44)
SCHEMBL462903 0.77 HSD11B1 (0.45) KDM4EALDH1A1HPGDKMT2ALMNA
SCHEMBL29272612 0.77 SMN1; SMN2 (0.40) KDM4EALDH1A1HPGDPTGER4MEN1
SCHEMBL23294499 0.76 KMO (0.46) ALDH1A1KMT2A

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-4334301-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS University College Cardiff Consultants Limited (GB) 2024-03-13 EP disclosed
CN-117279908-A Heteroaryl compounds for the treatment of cognitive disorders 加的夫大学学院咨询有限公司 2023-12-22 CN disclosed
WO-2022234271-A1 HETEROARYL COMPOUNDS USEFUL IN THE TREATMENT OF COGNITIVE DISORDERS UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2022-11-10 WO disclosed
US-11339130-B1 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2022-05-24 US disclosed
US-10934261-B2 Calpain modulators and therapeutic uses thereof BLADE THERAPEUTICS, INC. (US) 2021-03-02 US disclosed
US-10894776-B2 2021-01-19 US disclosed
WO-2018064119-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. (US) 2018-04-05 WO disclosed
EP-2870141-B1 METHANETHIONE COMPOUNDS HAVING ANTIVIRAL ACTIVITY VIRONOVA INFLUENZA AB (SE) 2017-11-22 EP disclosed
US-9676734-B2 Compounds and methods VIRONOVA INFLUENZA AB (SE) 2017-06-13 US disclosed
US-9676734-B2 Compounds and methods VIRONOVA INFLUENZA AB (SE) 2017-06-13 US disclosed
US-20160280669-A1 COMPOUNDS AND METHODS VIRONOVA INFLUENZA AB (SE) 2016-09-29 US disclosed
US-9359310-B2 Methanethione compounds having antiviral activity VIRONOVA INFLUENZA AB (SE) 2016-06-07 US disclosed
US-20150133468-A1 METHANETHIONE COMPOUNDS HAVING ANTIVIRAL ACTIVITY VIRONOVA AB (SE) 2015-05-14 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 (5 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-10934261-B2 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 POLB 2724/4885DHFR 3918/4885KDM4E 3495/4885
US-10894776-B2 CAPNS1, CAPN9, CAPN2 POLB 2408/4885DHFR 4126/4885KDM4E 3117/4885
US-20150133468-A1 METHANETHIONE COMPOUNDS HAVING ANTIVIRAL ACTIVITY MAVS, EIF2AK2, STING1 POLB 376/4885DHFR 1760/4885KDM4E 3277/4885
US-20160280669-A1 COMPOUNDS AND METHODS EIF2AK2, ZC3HAV1, HIF1AN POLB 92/4885DHFR 1100/4885KDM4E 4199/4885
US-11339130-B1 Calpain modulators and therapeutic uses thereof CAPNS1, CAPN9, CAPN1 POLB 2724/4885DHFR 3918/4885KDM4E 3495/4885

“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.