SCHEMBL989222

SCHEMBL989222

CC(C)Cn1c(N)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2D6 P10635 1/20 0.67
POLB P06746 2/20 0.63
CXCR4 P61073 1/20 0.62
TLR8 Q9NR97 3/20 0.59
PRKACA P17612 1/20 0.58
RPS6KB1 P23443 1/20 0.58
GSK3B P49841 1/20 0.58
ROCK1 Q13464 1/20 0.58
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
NPC1 O15118 1/20 0.56
GLA P06280 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 2/20 0.55
TNF P01375 2/20 0.54

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
SCHEMBL20641347 0.83 HTT (0.62) HTTCYP1A2CYP2D6POLBCXCR4
SCHEMBL13127436 0.81 LMNA (0.73) HTTPRKACARPS6KB1GSK3BROCK1
SCHEMBL1992429 0.80 CYP1A2 (1.00) HTTCYP1A2CYP2D6POLBCXCR4
SCHEMBL13497731 0.80 LMNA (0.54) HTTCYP1A2CYP2D6POLBPRKACA
SCHEMBL23319549 0.80 HTT (0.62) HTTCYP1A2CYP2D6POLBCXCR4
SCHEMBL6199065 0.80 CXCR4 (0.85) HTTCYP1A2CYP2D6POLBCXCR4
SCHEMBL12565557 0.79 LMNA (0.56) HTTCYP1A2CYP2D6POLBPRKACA
SCHEMBL1537633 0.79 LMNA (0.57) HTTPOLBPRKACARPS6KB1GSK3B
SCHEMBL18250343 0.79 LMNA (0.65) HTTPOLBPRKACARPS6KB1GSK3B
SCHEMBL13071434 0.79 LMNA (0.56) HTTPOLBPRKACARPS6KB1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4221872-A1 MEMBRANES FOR REMOVING METALLIC SPECIES FROM AMINES Entegris, Inc. (US) 2023-08-09 EP disclosed
CN-114377565-A Membranes for removal of metal species from amines 恩特格里斯公司 2022-04-22 CN disclosed
WO-2022072466-A1 MEMBRANES FOR REMOVING METALLIC SPECIES FROM AMINES ENTEGRIS, INC. (US) 2022-04-07 WO disclosed
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
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 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 (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-20200377476-A1 NEW BENZIMIDAZOLE COMPOUNDS AND DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB3 HTT 4174/4885CYP1A2 1151/4885CYP2D6 544/4885
US-11174245-B2 Benzimidazole compounds and derivatives as EGFR inhibitors EGFR, ERBB2, ERBB3 HTT 3988/4885CYP1A2 1148/4885CYP2D6 611/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 HTT 4547/4885CYP1A2 3740/4885CYP2D6 2928/4885

“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.