SCHEMBL17619239

SCHEMBL17619239

CC(=O)c1ccnc(C(C)C)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM5A P29375 2/20 0.32
KDM5B Q9UGL1 1/20 0.32
KDM4E B2RXH2 4/20 0.31
ASPH Q12797 2/20 0.31
KDM8 Q8N371 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
MEN1 O00255 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4A O75164 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GABRP O00591 1/20 0.31

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
SCHEMBL29663647 1.00 KDM4C (0.33) KDM4CALDH1A1KDM5AKDM5BKDM4E
SCHEMBL29813265 0.88 KDM5A (0.30) KDM5AKDM5B
SCHEMBL17603692 0.86 KDM4E (0.42) KDM4CALDH1A1KDM5AKDM5BKDM4E
SCHEMBL24833027 0.82 HRH4 (0.36) NOS3NOS2
SCHEMBL17603706 0.81 KDM4E (0.49) KDM4CALDH1A1KDM4EGLAGAA
SCHEMBL25828300 0.80 SMN1; SMN2 (0.35) KDM4CALDH1A1KDM5AKDM5BKDM4E
SCHEMBL30898769 0.77 NOS3 (0.48) KDM4CALDH1A1NAPRTNOS3NOS2
SCHEMBL16414490 0.76 ALDH1A1 (0.44) KDM4CALDH1A1KDM4EGAAMEN1
SCHEMBL30590435 0.76 SMN1; SMN2 (0.42) KDM4CALDH1A1KDM4EKMT2AGABRP
SCHEMBL17619241 0.74 LMNA (0.40) KDM4CALDH1A1KDM5AKDM4EASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116171155-A Pyrido [2,3-d ] pyrimidine-2 (1H) -ketone derivative, preparation method and application thereof 上海和誉生物医药科技有限公司 2023-05-26 CN disclosed
US-20230143751-A1 Aromatic Compound And Use Thereof In Preparing Antineoplastic Drugs SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-05-11 US disclosed
US-20230143751-A1 Aromatic Compound And Use Thereof In Preparing Antineoplastic Drugs SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2023-05-11 US disclosed
WO-2022121839-A1 PYRIDO[2,3-D]PYRIMIDIN-2(1H)-ONE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2022-06-16 WO disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 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 (2 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-20230143751-A1 Aromatic Compound And Use Thereof In Preparing Antineoplastic Drugs TYR, MAPT, DDC KDM4C 2702/4885ALDH1A1 3131/4885KDM5A 2514/4885
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE PDE3A, PDE2A, PDE5A KDM4C 916/4885ALDH1A1 475/4885KDM5A 1124/4885

“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.