SCHEMBL21311084

SCHEMBL21311084

CN1CCN(c2ccc3c(c2)nc(N)n3CC(C)(C)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.50
NTRK1 P04629 1/20 0.47
CSF1R P07333 1/20 0.47
NTRK2 Q16620 1/20 0.47
KDM4E B2RXH2 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 3/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 2/20 0.42
PTK2B Q14289 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
CNR2 P34972 1/20 0.41
ADRA2C P18825 2/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6419563 0.90 TERT (0.43) EGFRNTRK1CSF1RNTRK2GAA
SCHEMBL24172531 0.89 EGFR (0.43) EGFRNTRK1CSF1RNTRK2KDM4E
SCHEMBL21310875 0.89 TERT (0.44) EGFRNTRK1CSF1RNTRK2GAA
SCHEMBL21310873 0.87 EGFR (0.53) EGFRNTRK1CSF1RNTRK2KDM4E
SCHEMBL21310888 0.82 CNR2 (0.41) EGFRNTRK1CSF1RNTRK2KDM4E
SCHEMBL30311978 0.82 BRD4 (0.40) EGFRNTRK1CSF1RNTRK2KDM4E
SCHEMBL24171246 0.82 BRD4 (0.40) EGFRNTRK1CSF1RNTRK2KDM4E
SCHEMBL21310884 0.81 PIM2 (0.38) EGFRNTRK1CSF1RNTRK2KDM4E
SCHEMBL21310800 0.81 EGFR (0.51) EGFRCNR2BACE1TLR8NUDT1
SCHEMBL6420487 0.79 KDM4E (0.50) KDM4EMAPTHTTCNR2ALDH1A1

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-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-11-16 US disclosed
US-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-03 US disclosed
WO-2019162323-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-29 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-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 EGFR 1/4885NTRK1 382/4885CSF1R 775/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 EGFR 1/4885NTRK1 387/4885CSF1R 769/4885

“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.