SCHEMBL21980680

SCHEMBL21980680

COCCOc1cc(F)c([N+](=O)[O-])cc1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
ALDH1A1 P00352 8/20 0.45
PTGES O14684 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RECQL P46063 2/20 0.41
EGFR P00533 1/20 0.40
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.36
S1PR4 O95977 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ESPL1 Q14674 1/20 0.36

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
SCHEMBL11596026 0.84 ALDH1A1 (0.48) MAPTALDH1A1NPC1RAB9ARECQL
SCHEMBL20987168 0.84 MAPT (0.51) MAPTALDH1A1PTGESNPC1RAB9A
SCHEMBL2924231 0.82 HTT (0.53) MAPTALDH1A1KMT2AMAPK1TDP1
SCHEMBL32671770 0.82 HTT (0.53) MAPTALDH1A1KMT2AMAPK1TDP1
SCHEMBL28662970 0.81 TDP1 (0.39) MAPTALDH1A1PTGESNPC1RAB9A
SCHEMBL20030505 0.80 ALDH1A1 (0.49) MAPTALDH1A1NPC1RAB9ARECQL
SCHEMBL22072961 0.79 MAPT (0.56) MAPTALDH1A1NPC1RAB9ARECQL
SCHEMBL20987127 0.78 ALDH1A1 (0.56) MAPTALDH1A1PTGESLMNAKMT2A
SCHEMBL20610619 0.78 TDP1 (0.37) MAPTALDH1A1PTGESRAB9ALMNA
SCHEMBL24534612 0.77 ALDH1A1 (0.38) MAPTALDH1A1PTGESNPC1RAB9A

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 15 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-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 US disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 US disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 US disclosed
US-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 US disclosed
US-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 US disclosed
US-11661419-B2 Benzimidazole derivative compounds and uses thereof PFIZER INC. (US) 2023-05-30 US disclosed
EP-4077316-A1 BENZIMIDAZOLE DERIVATIVES Pfizer Inc. (US) 2022-10-26 EP disclosed
CN-115087655-A Benzimidazole derivatives 辉瑞公司 2022-09-20 CN 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-20210188829-A1 Chemical Compounds PFIZER INC. (US) 2021-06-24 US disclosed
US-20210188829-A1 Chemical Compounds PFIZER INC. (US) 2021-06-24 US disclosed
WO-2021124155-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. (US) 2021-06-24 WO 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 (5 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 MAPT 4751/4885ALDH1A1 3575/4885PTGES 1619/4885
US-20200165227-A1 2,4-BIS(NITROGEN-CONTAINING GROUP)-SUBSTITUTED PYRIMIDINE COMPOUND, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, KRAS MAPT 4751/4885ALDH1A1 3575/4885PTGES 1619/4885
US-11267802-B2 2,4-bis(nitrogen-containing group)-substituted pyrimidine compound, preparation method and use thereof EGFR, ERBB2, KRAS MAPT 4751/4885ALDH1A1 3575/4885PTGES 1619/4885
US-11661419-B2 Benzimidazole derivative compounds and uses thereof ITK, HRH4, BLK MAPT 2297/4885ALDH1A1 242/4885PTGES 1260/4885
US-20210188829-A1 Chemical Compounds ITK, HRH4, HRH1 MAPT 1663/4885ALDH1A1 167/4885PTGES 1090/4885

“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.