SCHEMBL21816656

SCHEMBL21816656

COc1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1OC(N)=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.51
MAPT P10636 6/20 0.49
CYP3A4 P08684 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
POLB P06746 2/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 3/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.46
KDM4E B2RXH2 2/20 0.45
EGFR P00533 1/20 0.44

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
SCHEMBL28895437 0.87 MAPT (0.53) MAPTCYP3A4POLBALDH1A1SMN1; SMN2
SCHEMBL21816619 0.81 KDM4E (0.50) MAPTCYP3A4POLBALDH1A1SMN1; SMN2
SCHEMBL14661030 0.81 SIRT6 (0.56) SIRT6MAPTCYP3A4BLMPMP22
SCHEMBL14660716 0.81 SIRT6 (0.53) SIRT6MAPTCYP3A4BLMPMP22
SCHEMBL14660687 0.80 SIRT6 (0.50) SIRT6MAPTCYP3A4BLMPMP22
SCHEMBL12312120 0.79 SIRT6 (0.64) SIRT6MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL28555279 0.79 POLB (0.41) MAPTCYP3A4BLMPMP22POLB
SCHEMBL12491627 0.79 SIRT6 (0.56) SIRT6MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL14718433 0.78 SIRT6 (0.51) SIRT6MAPTCYP3A4BLMPMP22
SCHEMBL14660784 0.78 SIRT6 (0.50) SIRT6MAPTALDH1A1SMN1; SMN2CYP1A2

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
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 EP disclosed
US-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-03-19 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-20200087296-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF WEE1, WEE2, EGFR SIRT6 3220/4885MAPT 3540/4885CYP3A4 757/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR SIRT6 3220/4885MAPT 3540/4885CYP3A4 757/4885

“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.