SCHEMBL2222744

SCHEMBL2222744

Nc1c(N2CCOCC2)cncc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
POLB P06746 2/20 0.53
HTT P42858 2/20 0.53
CTSB P07858 1/20 0.49
ALDH1A1 P00352 6/20 0.47
CYP1A2 P05177 5/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL15301678 0.82 MAPT (0.49) MAPTHTTALDH1A1CYP1A2CYP2C9
SCHEMBL30050306 0.78 MAPT (0.69) MAPTPOLBHTTCTSBALDH1A1
SCHEMBL19417846 0.78 MAPT (0.69) MAPTPOLBHTTCTSBALDH1A1
SCHEMBL2221075 0.76 MAPT (0.46) MAPTPOLBHTTALDH1A1NPSR1
SCHEMBL3095395 0.74 MAPT (0.78) MAPTHTTCTSBALDH1A1CYP1A2
SCHEMBL4457346 0.73 MAPT (0.50) MAPTPOLBHTTALDH1A1NPSR1
SCHEMBL21001133 0.72 CTSB (0.58) MAPTPOLBHTTCTSBALDH1A1
SCHEMBL3403145 0.72 CYP1A2 (0.61) MAPTPOLBHTTCTSBALDH1A1
SCHEMBL690222 0.72 MAPT (0.63) MAPTCTSBALDH1A1CYP1A2CYP2C9
SCHEMBL7809569 0.72 MAPT (0.64) MAPTPOLBHTTCTSBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
EP-3305073-B1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED LLC (US) 2019-05-15 EP disclosed
US-10105370-B2 1H-pyrazolo[3,4-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2018-10-23 US disclosed
US-20180256588-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2018-09-13 US disclosed
EP-3305073-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF Samumed, LLC (US) 2018-04-11 EP disclosed
US-9855272-B2 1H-pyrazolo[3,4-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2018-01-02 US disclosed
US-9855272-B2 1H-pyrazolo[3,4-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2018-01-02 US disclosed
US-20130225576-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2013-08-29 US disclosed
US-8450340-B2 1H-pyrazolo[3,4-b]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2013-05-28 US disclosed
US-8450340-B2 1H-pyrazolo[3,4-b]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2013-05-28 US disclosed
US-8450340-B2 1H-pyrazolo[3,4-b]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2013-05-28 US disclosed
CN-102821607-A 1H-pyrazolo [3,4-b ] pyridines and therapeutic uses thereof SAMUMED LLC 2012-12-12 CN disclosed
EP-2515655-A1 1H-PYRAZOLO[3,4-BETA]PYRIDINES AND THERAPEUTIC USES THEREOF Samumed, LLC (US) 2012-10-31 EP disclosed
US-20110190290-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-08-04 US disclosed
US-20110190290-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-08-04 US disclosed
WO-2011084486-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-07-14 WO disclosed
WO-2011084486-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-07-14 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 (5 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-20110190290-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF BRCA1, THPO, PDXK MAPT 2756/4885POLB 2015/4885HTT 4223/4885
US-20130225576-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF BRCA1, THPO, PDXK MAPT 2756/4885POLB 2015/4885HTT 4223/4885
US-10105370-B2 1H-pyrazolo[3,4-B]pyridines and therapeutic uses thereof BRCA1, THPO, PDXK MAPT 2756/4885POLB 2015/4885HTT 4223/4885
US-20180256588-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF BRCA1, THPO, PDXK MAPT 2756/4885POLB 2015/4885HTT 4223/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 MAPT 483/4885POLB 1214/4885HTT 87/4885

“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.