SCHEMBL3554554

SCHEMBL3554554

O=C(NC1CNC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.43
PKM P14618 1/20 0.41
CA2 P00918 2/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
HTT P42858 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 1/20 0.34
CA3 P07451 2/20 0.33
CA5A P35218 2/20 0.33
CA5B Q9Y2D0 2/20 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
Hydrochloric Acid SCHEMBL8941914 0.98 HPSE (0.42) HPSEPKMCA2ALDH1A1SMN1; SMN2
SCHEMBL14428330 0.91 PKM (0.42) HPSEPKMCA2ALDH1A1SMN1; SMN2
SCHEMBL18247761 0.91 PKM (0.42) HPSEPKMCA2ALDH1A1SMN1; SMN2
Acetic Acid SCHEMBL30325545 0.85 HPSE (0.41) HPSEPKMCA2ALDH1A1SMN1; SMN2
SCHEMBL18247609 0.85 PKM (0.38) HPSEPKMCA2ALDH1A1SMN1; SMN2
SCHEMBL3405244 0.84 EPHX1 (0.45) HPSEPKMPOLBPDK1PDK2
SCHEMBL1029383 0.84 EPHX1 (0.45) HPSEPKMPOLBPDK1PDK2
SCHEMBL3402629 0.84 EPHX1 (0.45) HPSEPKMPOLBPDK1PDK2
SCHEMBL18247651 0.83 PKM (0.37) HPSEPKMCA2ALDH1A1SMN1; SMN2
SCHEMBL29340212 0.83 HPSE (0.40) HPSEPKMCA2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136598-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2025-05-01 US disclosed
US-20250051350-A1 Dihydroartemisinin derivatives and the treatment of fibrotic diseases GreenStone Biosciences, Inc. (US) 2025-02-13 US disclosed
US-12172997-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-12-24 US disclosed
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2023-05-18 US disclosed
US-11618750-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-04-04 US disclosed
EP-3983075-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-04-20 EP disclosed
US-20210017168-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-01-21 US disclosed
WO-2020249792-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed
US-9783536-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2017-10-10 US disclosed
WO-2016016316-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2016-02-04 WO disclosed
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-11-12 US disclosed
US-7718801-B2 Substituted imidazole derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-05-18 US disclosed
US-20080070894-A1 Novel Substituted Imidazole Derivative MSD K.K. (JP) 2008-03-20 US disclosed
EP-1790650-A1 NOVEL SUBSTITUTED IMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
EP-0606382-B1 1,8-BENZONAPHTHYRIDINE DERIVATIVES AND ANTIMICROBIAL COMPOSITIONS BELLON LABOR SA ROGER (FR) 1998-05-13 EP disclosed
EP-0606382-A1 1,8-BENZONAPHTHYRIDINE DERIVATIVES AND ANTIMICROBIAL COMPOSITIONS LABORATOIRE ROGER BELLON (FR) 1994-07-20 EP disclosed
WO-1993007144-A1 1,8-BENZONAPHTHYRIDINE DERIVATIVES AND ANTIMICROBIAL COMPOSITIONS LABORATOIRE ROGER BELLON (FR) 1993-04-15 WO disclosed
EP-0536035-A1 1,8-Benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1993-04-07 EP disclosed
EP-0324298-B1 7-(1-AZETIDINYL)-1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC-ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1992-12-23 EP disclosed
EP-0324298-A1 7-(1-Azetidinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic-acid derivatives, their preparation and their use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1989-07-19 EP 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 (8 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-20080070894-A1 Novel Substituted Imidazole Derivative PLK1, CDK1, CDK11A HPSE 4034/4885PKM 1507/4885CA2 2463/4885
US-12172997-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3A HPSE 2447/4885PKM 1089/4885CA2 4299/4885
US-20230151006-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR GRIN2B, GRIN2A, GRIN3A HPSE 2006/4885PKM 1103/4885CA2 4180/4885
US-20250136598-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A HPSE 2447/4885PKM 1089/4885CA2 4299/4885
US-20150322063-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF NPM1, NAP1L1, REN HPSE 4560/4885PKM 4310/4885CA2 820/4885
US-11618750-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3A HPSE 2447/4885PKM 1089/4885CA2 4299/4885
US-20210017168-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A HPSE 2447/4885PKM 1089/4885CA2 4299/4885
US-20250051350-A1 Dihydroartemisinin derivatives and the treatment of fibrotic diseases PTGES3, PTGIS, COL14A1 HPSE 540/4885PKM 2357/4885CA2 4467/4885

“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.