Sugi Predict

Sugi Predict / Compounds / SCHEMBL21980696

SCHEMBL21980696

SCHEMBL21980696

COc1cc(N(C)CCN2CCOCC2)c(C=CC(=O)NC=O)cc1Nc1nccc(-n2ccc3ccccc32)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.48
▸ MKNK1 Q9BUB5 1/20 0.47
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ ERBB2 P04626 2/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ MLNR O43193 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ INSR P06213 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ ERBB3 P21860 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL18610668 0.84 EGFR (0.66) EGFRERBB2MLNRKDM1AABCB11
SCHEMBL29464101 0.83 MKNK1 (0.56) EGFRMKNK1CCNT1CDK9MKNK2
SCHEMBL21980689 0.80 EGFR (0.48) EGFR
SCHEMBL21980684 0.79 EGFR (0.47) EGFR
SCHEMBL18610675 0.78 EGFR (0.66) EGFRERBB2MLNRKDM1AABCB11
SCHEMBL21980695 0.78 EGFR (0.47) EGFR
SCHEMBL18610677 0.78 EGFR (0.65) EGFRERBB2MLNRKDM1AABCB11
SCHEMBL30930096 0.78 EGFR (0.65) EGFRERBB2MLNRKDM1AABCB11
SCHEMBL18610673 0.78 EGFR (0.65) EGFRERBB2MLNRKDM1AABCB11
SCHEMBL29464139 0.77 EGFR (0.46) EGFRMKNK1ERBB2MLNRKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof BEBETTER MED INC. (CN) 2022-03-08 — — US disclosed
US-20200331891-A9 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) 2020-10-22 — — US disclosed
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF GUANGZHOU BEBETTER MEDICINE TECHNOLOGY CO., LTD. (CN) 2020-05-28 — — 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 (3 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-20200331891-A9 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS EGFR 1/4885MKNK1 4288/4885CCNT1 1743/4885
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS EGFR 1/4885MKNK1 4288/4885CCNT1 1743/4885
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof EGFR, ERBB2, KRAS EGFR 1/4885MKNK1 4288/4885CCNT1 1743/4885

“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.