SCHEMBL553565

SCHEMBL553565

O=C(O)c1cnn(Cc2ccncc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.59
L3MBTL1 Q9Y468 4/20 0.53
POLB P06746 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
S1PR1 P21453 1/20 0.49
KLKB1 P03952 4/20 0.49
ERCC5 P28715 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
SCD O00767 1/20 0.44
SCD5 Q86SK9 1/20 0.44
HPGDS O60760 1/20 0.42
ALKBH2 Q6NS38 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Hydrochloric Acid SCHEMBL20258138 0.92 HSD17B10 (0.51) HSD17B10L3MBTL1POLBTDP1S1PR1
SCHEMBL1912400 0.87 HSD17B10 (0.77) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL553830 0.87 L3MBTL1 (0.62) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL27259482 0.86 KLKB1 (0.51) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL19299982 0.85 HSD17B10 (0.65) HSD17B10L3MBTL1POLBTDP1S1PR1
SCHEMBL4019778 0.84 HSD17B10 (0.72) HSD17B10L3MBTL1POLBTDP1KLKB1
SCHEMBL553971 0.84 HSD17B10 (0.63) HSD17B10L3MBTL1POLBTDP1S1PR1
SCHEMBL18816489 0.84 HSD17B10 (0.63) HSD17B10L3MBTL1POLBTDP1S1PR1
SCHEMBL16639012 0.84 HSD17B10 (0.44) HSD17B10L3MBTL1POLBTDP1S1PR1
SCHEMBL15154920 0.83 L3MBTL1 (0.54) HSD17B10L3MBTL1POLBTDP1KLKB1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2021-07-08 US claimed
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2021-01-12 US claimed
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS DEVELOPMENT LIMITED (GB) 2018-12-20 US claimed
US-10000481-B2 1H-pyrrolo[2,3-B] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2018-06-19 US claimed
EP-2809670-B1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS R&D LTD (GB) 2017-05-17 EP claimed
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2015-01-08 US claimed
EP-2809670-A1 1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS Vernalis (R&D) Limited (GB) 2014-12-10 EP claimed
WO-2013114113-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2013-08-08 WO claimed
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2021-07-08 US disclosed
CN-106866658-B 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors 沃纳利斯(R&D)有限公司 2021-04-27 CN disclosed
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2021-01-12 US disclosed
CN-111484493-A 1H-pyrrolo [2,3-b ] pyridine derivatives and their use as kinase inhibitors 沃纳利斯(R&D)有限公司 2020-08-04 CN disclosed
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS DEVELOPMENT LIMITED (GB) 2018-12-20 US disclosed
US-10000481-B2 1H-pyrrolo[2,3-B] pyridine derivatives and their use as kinase inhibitors VERNALIS (R&D) LIMITED (GB) 2018-06-19 US disclosed
WO-2013114113-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS (R&D) LIMITED (GB) 2013-08-08 WO disclosed
CN-103080104-A N-((6-amino-pyridin-3-yl)methyl)-heteroaryl-carboxamides as inhibitors of plasma kallikrein NOVARTIS AG 2013-05-01 CN disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES NOVARTIS AG (CH) 2012-02-09 US disclosed
WO-2012017020-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES AS INHIBITORS OF PLASMA KALLIKREIN NOVARTIS AG (CH) 2012-02-09 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 (6 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-10000481-B2 1H-pyrrolo[2,3-B] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 HSD17B10 4359/4885L3MBTL1 1564/4885POLB 1391/4885
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 HSD17B10 4359/4885L3MBTL1 1564/4885POLB 1391/4885
US-20210206762-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 HSD17B10 4359/4885L3MBTL1 1564/4885POLB 1391/4885
US-10889582-B2 1H-pyrrolo [2,3-b] pyridine derivatives and their use as kinase inhibitors MAP4K2, MAP3K1, MAP3K19 HSD17B10 4359/4885L3MBTL1 1564/4885POLB 1391/4885
US-20120035168-A1 N-((6-AMINO-PYRIDIN-3-YL)METHYL)-HETEROARYL-CARBOXAMIDES TPMT, REN, PNMT HSD17B10 4277/4885L3MBTL1 4829/4885POLB 3993/4885
US-20150011533-A1 1H-PYRROLO[2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 HSD17B10 4359/4885L3MBTL1 1564/4885POLB 1391/4885

“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.