SCHEMBL18608117

SCHEMBL18608117

Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2[C@@H]1CCCN(N)C1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.80
▸ LYN P07948 3/20 0.80
▸ LCK P06239 3/20 0.80
▸ EGFR P00533 4/20 0.71
▸ TEC P42680 3/20 0.71
▸ BMX P51813 3/20 0.71
▸ ITK Q08881 3/20 0.71
▸ TXK P42681 2/20 0.71
▸ NUDT14 O95848 2/20 0.71
▸ FGFR2 P21802 2/20 0.71
▸ NUDT5 Q9UKK9 2/20 0.71
▸ BLK P51451 2/20 0.71
▸ RIPK2 O43353 1/20 0.71
▸ NR1I2 O75469 1/20 0.71
▸ SLC22A3 O75751 1/20 0.71
▸ LATS1 O95835 1/20 0.71
▸ ABL1 P00519 1/20 0.71
▸ ERBB2 P04626 1/20 0.71
▸ FYN P06241 1/20 0.71
▸ PGR P06401 1/20 0.71

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
SCHEMBL21898176 1.00 BTK (0.80) BTKLYNLCKEGFRTEC
SCHEMBL22737178 0.90 BTK (0.80) BTKLYNLCKEGFRTEC
SCHEMBL16075638 0.90 BTK (0.80) BTKLYNLCKEGFRTEC
SCHEMBL18235474 0.90 BTK (0.78) BTKLYNLCKEGFRTEC
SCHEMBL19230350 0.90 BTK (0.78) BTKLYNLCKEGFRTEC
SCHEMBL25068925 0.90 BTK (0.80) BTKLYNLCKEGFRTEC
SCHEMBL6431516 0.89 BTK (1.00) BTKLYNLCKEGFRTEC
SCHEMBL30586962 0.89 BTK (1.00) BTKLYNLCKEGFRTEC
SCHEMBL16075646 0.89 BTK (0.77) BTKLYNLCKEGFRTEC
SCHEMBL19209534 0.88 BTK (0.83) BTKLYNLCKEGFRTEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200123156-A1 HETEROARYL COMPOUND HAVING DRUG ACTIVITY SHANGHAI DUDE MEDICAL TECHNOLOGY CO., LTD 2020-04-23 — — US disclosed
WO-2017039425-A1 A METHOD FOR PREPARATION OF IBRUTINIB PRECURSOR LATVIAN INSTITUTE OF ORGANIC SYNTHESIS (LV) 2017-03-09 — — 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 (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-20200123156-A1 HETEROARYL COMPOUND HAVING DRUG ACTIVITY BTK, LYN, LCK BTK 1/4885LYN 2/4885LCK 3/4885

“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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