SCHEMBL21311007

SCHEMBL21311007

CN1CC=C(c2ccc3nc(N)n([C@H]4CC[C@@H](O)CC4)c3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ QDPR P09417 3/20 0.47
▸ FLT3 P36888 1/20 0.37
▸ TYRO3 Q06418 1/20 0.37
▸ MERTK Q12866 1/20 0.37
▸ GAS6 Q14393 1/20 0.37
▸ MTOR P42345 2/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ HTR1D P28221 1/20 0.35
▸ HTR1B P28222 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL21310755 0.76 EGFR (0.50) QDPRMTORPIK3CAHTR1DHTR1B
SCHEMBL21311010 0.75 KDM4E (0.44) EGFRCYP11B2
SCHEMBL14247438 0.72 PIK3CA (0.39) MTORPIK3CAEGFRCYP11B2
SCHEMBL14247439 0.72 PIK3CA (0.39) MTORPIK3CAEGFRCYP11B2
SCHEMBL21311054 0.70 PRKACA (0.50) PIK3CAEGFRCYP11B2
SCHEMBL2362280 0.70 CYP11B2 (0.47) CYP11B2
SCHEMBL21310799 0.69 QDPR (0.48) QDPRHTR1DHTR1B
SCHEMBL21310840 0.69 HCAR1 (0.37) MTORPIK3CAEGFRCYP11B2
SCHEMBL21310915 0.69 RPS6KB1 (0.50) EGFRCYP11B2
SCHEMBL21311046 0.69 RPS6KB1 (0.50) EGFRCYP11B2

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 QDPR 2292/4885FLT3 11/4885TYRO3 33/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 QDPR 1871/4885FLT3 10/4885TYRO3 34/4885

“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.

Send feedback