SCHEMBL1668064

SCHEMBL1668064

CCOC(=O)Cc1cn2ccccc2n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TSHR P16473 2/20 0.58
KDM4E B2RXH2 9/20 0.58
HPGD P15428 4/20 0.51
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.48
OPRM1 P35372 1/20 0.47
MAPK10 P53779 1/20 0.47
POLB P06746 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
SCHEMBL27904247 0.86 KDM4E (0.58) ALDH1A1MAPTSMN1; SMN2TSHRKDM4E
SCHEMBL16860341 0.84 TSHR (0.60) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15068790 0.83 KDM4E (0.49) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL15230641 0.82 KDM4E (0.71) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL10513729 0.81 KDM4E (0.55) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24158897 0.81 KDM4E (0.57) ALDH1A1MAPTSMN1; SMN2TSHRKDM4E
SCHEMBL14912238 0.80 KDM4E (0.53) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL20985955 0.80 KDM4E (0.53) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11825664 0.80 RAB9A (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7981086 0.80 KDM4E (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112390823-B Synthesis method of minodronic acid 鲁南制药集团股份有限公司 2023-11-21 CN disclosed
CN-112390794-B Preparation method of minodronic acid key intermediate 鲁南制药集团股份有限公司 2023-05-26 CN disclosed
CN-112390794-A Preparation method of minodronic acid key intermediate 鲁南制药集团股份有限公司 2021-02-23 CN disclosed
CN-112390823-A Synthesis method of minodronic acid 鲁南制药集团股份有限公司 2021-02-23 CN disclosed
CN-110627724-A Pyrazole derivative calcium release-activated calcium channel modulators and methods of treating non-small cell lung cancer 理森制药股份公司 2019-12-31 CN disclosed
US-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS SA (CH) 2019-08-15 US disclosed
US-10174034-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer RHIZEN PHARMACEUTICALS SA (CH) 2019-01-08 US disclosed
US-20180222905-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-08-09 US disclosed
EP-2509974-B1 PYRAZOLES DERIVATIVES MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER RHIZEN PHARMACEUTICALS S A (CH) 2018-04-11 EP disclosed
US-9938269-B2 Inhibitor compounds of phosphodiesterase type 10A ABBVIE INC. (US) 2018-04-10 US disclosed
US-6117893-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 2000-09-12 US disclosed
EP-1022274-A1 Oxazolidinedione and Thiazolidinedione derivatves, their preparation and their use Sankyo Company Limited (JP) 2000-07-26 EP disclosed
US-5977365-A HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 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 (3 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-20190248791-A1 NOVEL MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL AND METHODS FOR TREATMENT OF NON-SMALL CELL LUNG CANCER ORAI1, CACNB2, CACNB1 ALDH1A1 3914/4885MAPT 4272/4885SMN1; SMN2 4479/4885
US-20180222905-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE2A, PDE4A, PDE5A ALDH1A1 279/4885MAPT 1973/4885SMN1; SMN2 955/4885
US-10174034-B2 Modulators of calcium release-activated calcium channel and methods for treatment of non-small cell lung cancer ORAI1, CACNA1E, CACNB2 ALDH1A1 3852/4885MAPT 4243/4885SMN1; SMN2 4414/4885

“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.