SCHEMBL9545028

SCHEMBL9545028

CCOC(=O)c1cnc2cccnc2c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
PKM P14618 1/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 2/20 0.44
CYP1A2 P05177 2/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ELANE P08246 1/20 0.43
HPGD P15428 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
SCHEMBL1686993 0.85 KMT2A (0.48) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL29532332 0.84 KMT2A (0.47) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL29532244 0.82 KMT2A (0.46) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL29532383 0.82 HSP90AA1 (0.46) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL2280172 0.81 KMT2A (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL15615933 0.81 KMT2A (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL776014 0.81 MEN1 (0.67) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL30631460 0.81 MEN1 (0.67) KMT2AMEN1PKMALDH1A1SMN1; SMN2
SCHEMBL28536823 0.80 TSHR (0.50) KMT2AMEN1PKMALDH1A1MAPT
SCHEMBL28434345 0.80 APP (0.47) KMT2AMEN1PKMALDH1A1SMN1; 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109223779-B Pharmaceutical composition for promoting fracture healing and preparation method and application thereof 山东中医药大学 2020-07-17 CN claimed
US-11427582-B2 Ligands selective to alpha 6 subunit-containing GABAA receptors and their methods of use UWM RESEARCH FOUNDATION, INC. (US) 2022-08-30 US disclosed
US-20210047322-A1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAA RECEPTORS AND THEIR METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-18 US disclosed
US-10865203-B2 Ligands selective to alpha 6 subunit-containing GABAA receptors and their methods of use UWM RESEARCH FOUNDATION, INC. (US) 2020-12-15 US disclosed
EP-3325479-B1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAA RECEPTORS AND THEIR METHODS OF USE UWM RES FOUNDATION INC (US) 2020-12-02 EP disclosed
CN-109223779-B Pharmaceutical composition for promoting fracture healing and preparation method and application thereof 山东中医药大学 2020-07-17 CN disclosed
EP-3325479-A1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAa RECEPTORS ANS THEIR METHODS OF USE UWM Research Foundation, Inc. (US) 2018-05-30 EP disclosed
US-20180134698-A1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAA RECEPTORS AND THEIR METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-17 US disclosed
EP-2822953-B9 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-06-21 EP disclosed
EP-2822953-B1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER (US) 2017-02-01 EP disclosed
US-9133215-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2015-09-15 US disclosed
US-9133215-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2015-09-15 US disclosed
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2014-05-15 US disclosed
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2014-05-15 US disclosed
US-8680111-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2014-03-25 US disclosed
US-8680111-B2 Macrocyclic derivatives for the treatment of diseases PFIZER INC. (US) 2014-03-25 US disclosed
US-20130252961-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES PFIZER INC. (US) 2013-09-26 US disclosed
WO-2013132376-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES PFIZER INC. (US) 2013-09-12 WO disclosed
WO-1993017682-A1 ANGIOTENSIN II RECEPTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-09-16 WO disclosed
US-4996213-A For treating nervous system disorders SANOFI (FR) 1991-02-26 US 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-20210047322-A1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAA RECEPTORS AND THEIR METHODS OF USE GABRA6, HTR6, GABRD KMT2A 3519/4885MEN1 3061/4885PKM 4246/4885
US-20130252961-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, EML4 KMT2A 1185/4885MEN1 194/4885PKM 267/4885
US-20180134698-A1 LIGANDS SELECTIVE TO ALPHA 6 SUBUNIT-CONTAINING GABAA RECEPTORS AND THEIR METHODS OF USE GABRA6, HTR6, GABRD KMT2A 3756/4885MEN1 3268/4885PKM 4378/4885
US-11427582-B2 Ligands selective to alpha 6 subunit-containing GABAA receptors and their methods of use GABRA6, HTR6, GABRD KMT2A 3519/4885MEN1 3061/4885PKM 4246/4885
US-20140135339-A1 MACROCYCLIC DERIVATIVES FOR THE TREATMENT OF DISEASES ALK, ETV6, EML4 KMT2A 1185/4885MEN1 194/4885PKM 267/4885
US-10865203-B2 Ligands selective to alpha 6 subunit-containing GABAA receptors and their methods of use GABRA6, HTR6, GABRD KMT2A 3756/4885MEN1 3268/4885PKM 4378/4885

“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.