SCHEMBL21530456

SCHEMBL21530456

Nc1nc(CN2Cc3ccccc3C2)nc(Nc2ccc(F)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.70
KDM4E B2RXH2 4/20 0.70
TDP1 Q9NUW8 3/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
BLM P54132 1/20 0.70
MAPK1 P28482 7/20 0.69
HTT P42858 3/20 0.69
L3MBTL1 Q9Y468 5/20 0.59
MAPT P10636 5/20 0.58
USP2 O75604 4/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
SLC29A2 Q14542 2/20 0.54
SLC29A1 Q99808 2/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL26317575 0.88 SMN1; SMN2 (0.72) ALDH1A1KDM4ETDP1SMN1; SMN2BLM
SCHEMBL29645152 0.81 MAPK1 (0.83) ALDH1A1KDM4ETDP1SMN1; SMN2BLM
SCHEMBL21530399 0.81 MAPK1 (0.83) ALDH1A1KDM4ETDP1SMN1; SMN2BLM
SCHEMBL15660651 0.80 MAPT (0.77) ALDH1A1KDM4ETDP1SMN1; SMN2BLM
SCHEMBL21530468 0.74 ALDH1A1 (0.60) ALDH1A1KDM4ETDP1SMN1; SMN2BLM
SCHEMBL15658933 0.72 MAPT (0.84) ALDH1A1KDM4ETDP1SMN1; SMN2MAPK1
SCHEMBL21530421 0.72 SMN1; SMN2 (1.00) ALDH1A1KDM4ETDP1SMN1; SMN2BLM
SCHEMBL24019197 0.71 MAPT (0.77) ALDH1A1KDM4ETDP1SMN1; SMN2BLM
SCHEMBL15662302 0.71 MAPT (0.80) ALDH1A1KDM4ETDP1SMN1; SMN2MAPK1
SCHEMBL24019198 0.69 MAPT (0.77) ALDH1A1KDM4ETDP1SMN1; SMN2MAPK1

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-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-11739072-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2023-08-29 US disclosed
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 US disclosed
US-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2022-05-05 US disclosed
EP-3562811-B1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S L (ES) 2022-03-16 EP disclosed
US-11174242-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2021-11-16 US disclosed
US-11174242-B2 Heteroaryl compounds and their use MINORYX THERAPEUTICS S.L. (ES) 2021-11-16 US disclosed
US-20190337922-A1 HETEROARYL COMPOUNDS AND THEIR USE MINORYX THERAPEUTICS S.L. (ES) 2019-11-07 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 (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-20220135535-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA ALDH1A1 1097/4885KDM4E 4446/4885TDP1 785/4885
US-20190337922-A1 HETEROARYL COMPOUNDS AND THEIR USE GBA1, GBA2, GAA ALDH1A1 1097/4885KDM4E 4446/4885TDP1 785/4885
US-11174242-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA ALDH1A1 1097/4885KDM4E 4446/4885TDP1 785/4885
US-11739072-B2 Heteroaryl compounds and their use GBA1, GBA2, GAA ALDH1A1 1097/4885KDM4E 4446/4885TDP1 785/4885

“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.