SCHEMBL22345987

SCHEMBL22345987

Cn1nc(CF)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
GRN P28799 3/20 0.51
SORT1 Q99523 3/20 0.51
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SMYD3 Q9H7B4 1/20 0.38
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MCL1 Q07820 2/20 0.36
PTPN1 P18031 1/20 0.36
PKM P14618 2/20 0.35
POLB P06746 1/20 0.35
HCAR3 P49019 1/20 0.33
PHGDH O43175 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL8508457 0.85 GRN (0.55) KDM4EGRNSORT1CA12CA1
SCHEMBL30874236 0.84 SMYD3 (0.40) KDM4EGRNSORT1SMYD3NAMPT
SCHEMBL343503 0.83 GRN (0.53) KDM4EGRNSORT1CA12CA1
Hydrochloric Acid SCHEMBL6378087 0.81 GRN (0.51) KDM4EGRNSORT1CA12CA1
SCHEMBL8507975 0.81 GRN (0.51) KDM4EGRNSORT1CA12CA1
SCHEMBL28701604 0.81 GRN (0.51) KDM4EGRNSORT1CA12CA1
SCHEMBL727 0.80 POLB (0.51) KDM4EGRNSORT1CA12CA1
SCHEMBL2215247 0.79 GRN (0.49) KDM4EGRNSORT1CA12CA1
SCHEMBL22286724 0.79 KDM4E (0.49) KDM4EGRNSORT1CA12CA1
SCHEMBL8056297 0.77 GRN (0.47) KDM4EGRNSORT1CA12CA1

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-113453764-B 7H-pyrrolo [2,3-d ] pyrimidin-4-amine derivatives 大鹏药品工业株式会社 2024-04-16 CN disclosed
US-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-10-17 US disclosed
US-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE PRAXIS PRECISION MEDICINES, INC. 2023-09-14 US disclosed
WO-2020166680-A1 7H-PYRROLO[2,3-D]PYRIMIDINE-4-AMINE DERIVATIVE 大鵬薬品工業株式会社 2020-08-20 WO 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-20230285377-A1 KCNT1 INHIBITORS AND METHODS OF USE KCNT1, KCNT2, KCNQ2 KDM4E 1355/4885GRN 1516/4885SORT1 2256/4885
US-11786534-B2 Substituted pyrrolo[2,3-d]pyrimidines as EGFR inhibitors EGFR, ERBB2, ERBB3 KDM4E 1631/4885GRN 1370/4885SORT1 4208/4885

“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.