SCHEMBL7706759

SCHEMBL7706759

O=C(O)c1nc2cccc(Cl)c2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.51
CDK9 P50750 5/20 0.51
DYRK2 Q92630 3/20 0.51
DYRK1B Q9Y463 3/20 0.51
CLK1 P49759 1/20 0.51
CDK5 Q00535 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
KDM4E B2RXH2 2/20 0.43
PIN1 Q13526 2/20 0.41
GUSB P08236 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
RHEB Q15382 1/20 0.39
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTPRB P23467 1/20 0.39

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
SCHEMBL30310472 1.00 DYRK1A (0.51) DYRK1ACDK9DYRK2DYRK1BCLK1
SCHEMBL29062716 0.85 DYRK1A (0.47) DYRK1ACDK9DYRK2DYRK1BCLK1
SCHEMBL24450337 0.81 DYRK1A (0.41) DYRK1ACDK9DYRK2DYRK1BCLK1
SCHEMBL29063123 0.81 CLK1 (0.41) DYRK1ACDK9DYRK2DYRK1BCLK1
SCHEMBL23835755 0.81 DYRK1A (0.41) DYRK1ACDK9DYRK2DYRK1BCLK1
SCHEMBL24113223 0.81 NR4A2 (0.48) DYRK1ACDK9DYRK2DYRK1BCLK1
SCHEMBL7647 0.81 PIN1 (0.42) DYRK1ACDK9DYRK2DYRK1BCLK1
SCHEMBL8952892 0.81 ALDH1A1 (0.47) KDM4EPIN1
SCHEMBL6988205 0.79 DYRK1A (0.42) DYRK1ADYRK2DYRK1BPIN1CA12
SCHEMBL1144716 0.79 PIN1 (0.49) KDM4EPIN1DAOPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11804602-B2 Negative electrode for lithium ion secondary battery, and lithium ion secondary battery including same HONDA MOTOR CO., LTD. (JP) 2023-10-31 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-12-13 US disclosed
WO-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed
US-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2021-11-16 US disclosed
CN-113497231-A Negative electrode for lithium ion secondary battery and lithium ion secondary battery provided with same 本田技研工业株式会社 2021-10-12 CN disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 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-11174231-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL DYRK1A 3085/4885CDK9 631/4885DYRK2 2756/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A DYRK1A 4063/4885CDK9 310/4885DYRK2 3993/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A DYRK1A 4063/4885CDK9 310/4885DYRK2 3993/4885
US-11524940-B1 Inhibitors of cysteine proteases and methods of use thereof CTRL, CTSV, CTSL DYRK1A 3085/4885CDK9 631/4885DYRK2 2756/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV DYRK1A 3984/4885CDK9 756/4885DYRK2 3143/4885

“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.