SCHEMBL548655

SCHEMBL548655

O=C(Cl)c1ccc2nccnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
MAPT P10636 4/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 10/20 0.51
RAB9A P51151 10/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
PKM P14618 1/20 0.50
POLB P06746 2/20 0.49
ESR2 Q92731 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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 SCHEMBL3596374 0.98 HTT (0.53) HTTMAPTHPGDALDH1A1NPC1
SCHEMBL27293915 0.83 MAPT (0.56) HTTMAPTHPGDALDH1A1NPC1
SCHEMBL193423 0.81 MAPT (0.59) HTTMAPTHPGDALDH1A1NPC1
SCHEMBL6531550 0.81 MAPT (0.54) HTTMAPTHPGDALDH1A1NPC1
SCHEMBL30390410 0.81 MAPT (0.59) HTTMAPTHPGDALDH1A1NPC1
Lithium Ion SCHEMBL31133341 0.79 MAPT (0.57) HTTMAPTHPGDALDH1A1NPC1
SCHEMBL359560 0.79 HPGD (0.53) HTTMAPTHPGDALDH1A1NPC1
SCHEMBL31068028 0.79 HPGD (0.53) HTTMAPTHPGDALDH1A1NPC1
SCHEMBL28612277 0.79 MAPT (0.57) HTTMAPTHPGDALDH1A1NPC1
SCHEMBL30134133 0.79 NPC1 (0.54) HTTMAPTHPGDALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300931-A1 Composition and Methods for Treating Attention Deficit Disorders LIPPA ARNOLD STAN (US) 2024-09-12 US disclosed
US-20240100023-A1 Compositions and Methods For Treating Spinal Cord Injuries LIPPA ARNOLD S (US) 2024-03-28 US disclosed
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-26 US disclosed
US-20230373982-A1 Compositions And Methods For Treating Attention Deficit Disorders LIPPA ARNOLD STAN (US) 2023-11-23 US disclosed
EP-3571203-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 EP disclosed
US-20230129330-A1 Compositions And Methods For Treating Attention Deficit Disorders LIPPA ARNOLD STAN (US) 2023-04-27 US disclosed
CN-110267960-B Substituted pyrazolo [1,5-a ] pyrazine compounds as RET kinase inhibitors 阿雷生物药品公司 2022-04-26 CN disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 US disclosed
US-20210340130-A1 Compositions and methods for treating attention deficit disorders LIPPA ARNOLD STAN (US) 2021-11-04 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
US-20030149277-A1 Triarylimidazole derivatives as cytokine inhibitors SMITHKLINE BEECHAM CORPORATION 2003-08-07 US disclosed
US-20030105142-A1 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB 2003-06-05 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
EP-1268465-A1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-02 EP disclosed
US-6432949-B1 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2002-08-13 US disclosed
CN-1321150-A Amide derivs. useful as inhibitors of production of cytokines ASTRAZENECA AB (SE) 2001-11-07 CN disclosed
WO-2001072737-A1 TRIARYLIMIDAZOLE DERIVATIVES AS CYTOKINE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-10-04 WO disclosed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 EP disclosed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 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 (11 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-20210340130-A1 Compositions and methods for treating attention deficit disorders GRIN2A, GRIN2C, GRM2 HTT 1227/4885MAPT 446/4885HPGD 1967/4885
US-20240100023-A1 Compositions and Methods For Treating Spinal Cord Injuries CHAT, NTRK2, GMFG HTT 2598/4885MAPT 433/4885HPGD 2429/4885
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 HTT 3810/4885MAPT 1938/4885HPGD 4052/4885
US-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 HTT 65/4885MAPT 4002/4885HPGD 119/4885
US-20230129330-A1 Compositions And Methods For Treating Attention Deficit Disorders GRIN2A, GRIN2C, GRM2 HTT 1227/4885MAPT 446/4885HPGD 1967/4885
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors RET, BRAF, ROR1 HTT 3810/4885MAPT 1938/4885HPGD 4052/4885
US-20030105142-A1 Amide derivatives useful as inhibitors of the production of cytokines IL6, IL6ST, IL2 HTT 2395/4885MAPT 4663/4885HPGD 725/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 HTT 3871/4885MAPT 1941/4885HPGD 4011/4885
US-20230373982-A1 Compositions And Methods For Treating Attention Deficit Disorders GRIN2A, GRIN2C, GRM2 HTT 1227/4885MAPT 446/4885HPGD 1967/4885
US-20240300931-A1 Composition and Methods for Treating Attention Deficit Disorders GRIN2A, GRIN2C, NTRK2 HTT 1037/4885MAPT 387/4885HPGD 2020/4885
US-20030149277-A1 Triarylimidazole derivatives as cytokine inhibitors IL2, IL2RA, IL6ST HTT 4201/4885MAPT 4189/4885HPGD 1036/4885

“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.