Sugi Predict

Sugi Predict / Compounds / SCHEMBL20357948

SCHEMBL20357948

SCHEMBL20357948

COc1cc(N(C)CCN(C)C)c(N)cc1Nc1nccc(-n2c(=O)n(C)c3cc(C#N)ccc32)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.50
▸ KCNH2 Q12809 2/20 0.39
▸ IGF1R P08069 1/20 0.39
▸ MLNR O43193 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ ERBB2 P04626 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
▸ HTR2C P28335 1/20 0.39
▸ ADORA2A P29274 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
SCHEMBL20357961 0.90 EGFR (0.47) EGFRKCNH2IGF1RMLNRKDM1A
SCHEMBL20162206 0.89 EGFR (0.46) EGFRKCNH2MLNRKDM1AABCB11
SCHEMBL18585724 0.89 EGFR (0.46) EGFRKCNH2MLNRKDM1AABCB11
SCHEMBL30011528 0.89 EGFR (0.46) EGFRKCNH2MLNRKDM1AABCB11
SCHEMBL20162209 0.89 EGFR (0.45) EGFRKCNH2MLNRKDM1AABCB11
SCHEMBL20357791 0.89 EGFR (0.48) EGFR
SCHEMBL30011736 0.89 EGFR (0.52) EGFRKCNH2MLNRKDM1AABCB11
SCHEMBL18387041 0.89 EGFR (0.52) EGFRKCNH2MLNRKDM1AABCB11
SCHEMBL30930101 0.86 EGFR (0.69) EGFRKCNH2IGF1RMLNRKDM1A
SCHEMBL18610536 0.86 EGFR (0.69) EGFRKCNH2IGF1RMLNRKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345900-B1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF BEBETTER MED INC (CN) 2024-06-12 — — EP disclosed
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
EP-3345900-A1 2, 4-DI-(NITROGEN CONTAINING GROUP) SUBSTITUTED PYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF Guangzhou Bebetter Medicine Technology Co., Ltd. (CN) 2018-07-11 — — EP disclosed
CN-106117185-B 2,4 2 nitrogen-containing group substituted uracil compounds and its preparation method and application 广州必贝特医药技术有限公司 2017-11-07 — — CN disclosed
CN-106117185-A 2,4 2 nitrogen-containing group substituted pyrimidines compounds and its preparation method and application 广州科擎新药开发有限公司 2016-11-16 — — CN 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 1/4885KCNH2 3267/4885IGF1R 150/4885
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS EGFR 1/4885KCNH2 3267/4885IGF1R 150/4885
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof EGFR, ERBB2, KRAS EGFR 1/4885KCNH2 3267/4885IGF1R 150/4885

“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.