SCHEMBL17749168

SCHEMBL17749168

O=C(NC1CC1)c1cccc2cc(B(O)O)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 5/20 0.49
▸ SMYD3 Q9H7B4 2/20 0.49
▸ AURKA O14965 3/20 0.47
▸ MET P08581 3/20 0.47
▸ TEK Q02763 3/20 0.47
▸ DRD4 P21917 6/20 0.47
▸ AURKB Q96GD4 2/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ LYN P07948 1/20 0.47
▸ FGR P09769 1/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ DPP7 Q9UHL4 1/20 0.46
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 1/20 0.44

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
SCHEMBL5773533 0.82 SMYD3 (0.55) KDRSMYD3AURKAMETTEK
SCHEMBL2747078 0.79 DRD4 (0.67) DRD4KDM4EALDH1A1HPGDDPP4
SCHEMBL12801478 0.76 PTPN1 (0.62) KDM4EALDH1A1HPGDKMT2A
SCHEMBL6121152 0.76 NPC1 (0.57) KDRAURKAMETTEKLCK
SCHEMBL14756885 0.75 KDM4E (0.57) KDRAURKAMETTEKAURKB
SCHEMBL4043511 0.74 HPGD (0.64) SMYD3P2RX7ALDH1A1HPGDKMT2A
SCHEMBL15940756 0.74 HPGD (0.55) SMYD3P2RX7ALDH1A1HPGDKMT2A
SCHEMBL29953310 0.74 HPGD (0.52) P2RX7KDM4EALDH1A1HPGDNPC1
SCHEMBL29955977 0.74 HPGD (0.55) SMYD3P2RX7ALDH1A1HPGDKMT2A
SCHEMBL457248 0.74 NPC1 (0.50) P2RX7HPGDNPC1RAB9A

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
CN-107108631-B 6-amino-7-bicyclic-7-deaza-purine derivatives as protein kinase inhibitors 内尔维阿诺医学科学有限公司 2020-06-16 — — CN disclosed
US-10221181-B2 6-amino-7-bicyclo-7-deaza-purine derivatives as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-03-05 — — US disclosed
US-10221181-B2 6-amino-7-bicyclo-7-deaza-purine derivatives as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2019-03-05 — — US disclosed
US-20170327506-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NERVIANO MEICAL SCIENCES S.r.l. (IT) 2017-11-16 — — US disclosed
US-20170327506-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NERVIANO MEICAL SCIENCES S.r.l. (IT) 2017-11-16 — — US disclosed
EP-3218378-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2017-09-20 — — EP disclosed
WO-2016075224-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-19 — — WO disclosed
WO-2016075224-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2016-05-19 — — 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-20170327506-A1 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS DCK, RET, ADK KDR 553/4885SMYD3 3201/4885AURKA 558/4885
US-10221181-B2 6-amino-7-bicyclo-7-deaza-purine derivatives as protein kinase inhibitors DCK, RET, PRKCA KDR 436/4885SMYD3 3655/4885AURKA 712/4885

“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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