SCHEMBL16895734

SCHEMBL16895734

CC(C)(C)OC(=O)N1CCCCC(n2c(N)nc3ccc(OCCN4CCCC4)c(Cl)c32)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.39
▸ TNF P01375 2/20 0.38
▸ LITAF Q99732 2/20 0.38
▸ PIK3CA P42336 1/20 0.37
▸ NSD2 O96028 1/20 0.36
▸ EHMT2 Q96KQ7 1/20 0.36
▸ HCAR1 Q9BXC0 1/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ CTSD P07339 1/20 0.36
▸ CHEK2 O96017 1/20 0.35
▸ OPRM1 P35372 3/20 0.34
▸ OGFRL1 Q5TC84 3/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ HTR6 P50406 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
SCHEMBL16895737 1.00 BTK (0.39) BTKTNFLITAFPIK3CANSD2
SCHEMBL19046975 0.91 BTK (0.41) BTKTNFLITAFPIK3CAHCAR1
SCHEMBL16896175 0.88 NSD2 (0.38) BTKTNFLITAFPIK3CANSD2
SCHEMBL16896176 0.88 NSD2 (0.38) BTKTNFLITAFPIK3CANSD2
SCHEMBL16896155 0.88 TNF (0.46) BTKTNFLITAFPIK3CAHCAR1
SCHEMBL16896156 0.88 TNF (0.46) BTKTNFLITAFPIK3CAHCAR1
SCHEMBL21890594 0.87 BTK (0.43) BTKTNFLITAFOPRD1OPRK1
SCHEMBL16895672 0.85 HCAR1 (0.45) BTKTNFLITAFPIK3CANSD2
SCHEMBL16895670 0.85 HCAR1 (0.45) BTKTNFLITAFPIK3CANSD2
SCHEMBL16901721 0.84 BTK (0.43) BTKTNFLITAFPIK3CAHCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3257848-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY Novartis AG (CH) 2017-12-20 — — EP disclosed
EP-2773635-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
EP-2773635-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 — — US disclosed
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 — — US disclosed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 — — US disclosed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 — — 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 (1 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-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity EGFR, ERBB2, ERBB3 BTK 77/4885TNF 2084/4885LITAF 2805/4885

“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.

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