SCHEMBL23216978

SCHEMBL23216978

O=c1[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)ncnc2n1C1CCC2(CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TNKS O95271 3/20 0.36
▸ C5AR1 P21730 2/20 0.36
▸ TNKS2 Q9H2K2 2/20 0.36
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ OPRL1 P41146 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SLC33A1 O00400 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ DRD2 P14416 1/20 0.33

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
SCHEMBL29844326 1.00 TSHR (0.38) TSHRKDM4ENPSR1LMNAALDH1A1
SCHEMBL25226857 0.87 CHRM2 (0.41) TSHRKDM4ENPSR1LMNAALDH1A1
SCHEMBL25167958 0.86 NPSR1 (0.41) TSHRKDM4ENPSR1LMNAALDH1A1
SCHEMBL23216905 0.86 C5AR1 (0.36) TSHRNPSR1LMNAALDH1A1TNKS
SCHEMBL29844265 0.86 C5AR1 (0.36) TSHRNPSR1LMNAALDH1A1TNKS
SCHEMBL16143648 0.78 PIK3CD (0.38) TSHRKDM4ENPSR1LMNAMAPT
SCHEMBL20480742 0.78 PIK3CD (0.38) TSHRKDM4ENPSR1LMNAMAPT
SCHEMBL15155889 0.77 EGFR (0.39) TSHRKDM4ENPSR1MAPTSMN1; SMN2
SCHEMBL28090364 0.76 PIK3CD (0.36) TSHRKDM4ENPSR1ALDH1A1MAPT
SCHEMBL23217008 0.76 ALDH1A1 (0.43) KDM4ELMNAALDH1A1TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-02-23 — — US disclosed
EP-4041401-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES Dana-Farber Cancer Institute, Inc. (US) 2022-08-17 — — EP disclosed
WO-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 — — WO disclosed
WO-2021071919-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-04-15 — — 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-20230058545-A1 HCK AS A THERAPEUTIC TARGET IN MYD88 MUTATED DISEASES HCK, LYN, BTK TSHR 3530/4885KDM4E 2749/4885NPSR1 4518/4885

“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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