SCHEMBL24914934

SCHEMBL24914934

CCOC(=O)c1cc(C#N)n(C)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.42
RAB9A P51151 3/20 0.42
ATM Q13315 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 5/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
FAAH O00519 1/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
MMP2 P08253 1/20 0.40
MMP13 P45452 1/20 0.40
MMP14 P50281 1/20 0.40

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
SCHEMBL6826183 0.83 AR (0.41) GAAKMT2AKDM4EHSD17B10LMNA
SCHEMBL1233517 0.82 BAZ2B (0.54) GAAKMT2ACYP1A2RAB9AKDM4E
SCHEMBL537688 0.81 CYP1A2 (0.47) GAAKMT2ACYP1A2RAB9AKDM4E
SCHEMBL19635920 0.78 MAPT (0.48) GAAKMT2ACYP1A2RAB9ATP53
SCHEMBL21607903 0.78 KMT2A (0.48) GAAKMT2ACYP1A2RAB9ATP53
SCHEMBL3904503 0.78 KMT2A (0.65) GAAKMT2ATP53KDM4ELMNA
SCHEMBL7698241 0.78 LMNA (0.61) GAAKMT2ACYP1A2RAB9AATM
SCHEMBL16468110 0.77 BAZ2B (0.40) KMT2AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL20168414 0.76 CYP1A2 (0.46) GAAKMT2ACYP1A2RAB9AKDM4E
SCHEMBL8003314 0.76 LMNA (0.47) GAAKMT2ACYP1A2RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120035594-A Heteroaromatic macrocyclic ether chemotherapeutic agents 纽威伦特公司 2025-05-23 CN disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
US-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2023-05-11 US disclosed
EP-4122927-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) 2023-01-25 EP 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 (1 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-20230145793-A1 SUBSTITUTED PYRIMIDINE OR PYRIDINE AMINE DERIVATIVE, COMPOSITION THEREOF, AND MEDICAL USE THEREOF ADORA2A, ADORA2B, ADORA3 GAA 3547/4885KMT2A 2565/4885CYP1A2 170/4885

“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.