SCHEMBL6467979

SCHEMBL6467979

Cc1noc(CNC(=O)OC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 5/20 0.43
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.40
KDM4A O75164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GFER P55789 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37

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
SCHEMBL24387685 0.85 HTT (0.53) KDM4ELMNAHTTNPSR1MAPT
SCHEMBL8138982 0.84 L3MBTL1 (0.46) CYP1A2KDM4ANPSR1MAPTL3MBTL1
SCHEMBL411489 0.81 CACNA1H (0.42) CYP1A2KDM4ELMNAHTTKDM4A
SCHEMBL5987499 0.81 HTT (0.38) CYP1A2KDM4ELMNAHTTKDM4A
SCHEMBL5987962 0.80 CYP1A2 (0.39) CYP1A2KDM4ELMNAHTTKDM4A
SCHEMBL7984088 0.79 HTT (0.39) CYP1A2KDM4ELMNAHTTKDM4A
SCHEMBL14679174 0.79 MAPT (0.66) MAPTSMN1; SMN2
SCHEMBL3510594 0.79 KCNJ1 (0.43) KCNJ1LMNAMAPTCYP2C9CYP2C19
SCHEMBL425286 0.77 ACACB (0.45) KCNJ1NPSR1MAPTCYP2C9CYP2C19
SCHEMBL16375378 0.77 MAPT (0.52) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-11-09 US disclosed
CN-113004252-B Aryl imidazole derivative and application thereof 江苏先声药业有限公司 2023-06-09 CN disclosed
CN-110099901-B Pyrazolo [3,4-b ] pyridines and imidazo [1,5-b ] pyridazines as PDE1 inhibitors H.隆德贝克有限公司 2023-01-03 CN disclosed
EP-3083619-B1 P2X3 AND/OR P2X2/3 COMPOUNDS AND METHODS ASANA BIOSCIENCES LLC (US) 2021-11-03 EP disclosed
EP-3558988-B1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS H LUNDBECK AS (DK) 2021-07-07 EP disclosed
US-10689379-B2 Pyrazolo[3,4-B]pyridines and imidazo[1,5-B]pyridazines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2020-06-23 US disclosed
US-20190352302-A1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2019-11-21 US disclosed
US-10351561-B2 Pyrazolo[3,4-b]pyridines and imidazo[1,5-b]pyridazines as PDE1 inhibitors H. LUNDBECK A/S (DK) 2019-07-16 US disclosed
US-20180179200-A1 PYRAZOLO[3,4-b]PYRIDINES AND IMIDAZO[1,5-b]PYRIDAZINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2018-06-28 US disclosed
US-20180179200-A1 PYRAZOLO[3,4-b]PYRIDINES AND IMIDAZO[1,5-b]PYRIDAZINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2018-06-28 US disclosed
WO-2018115067-A1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS H. LUNDBECK A/S (DK) 2018-06-28 WO disclosed
US-8338599-B2 Compounds having a potentiating effect on the activity of ethionamide and uses thereof INSTITUT PASTEUR DE LILLE (FR) 2012-12-25 US disclosed
WO-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed
US-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF INSTITUT PASTEUR DE LILLE (FR) 2011-06-09 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-20110136823-A1 COMPOUNDS HAVING A POTENTIATING EFFECT ON THE ACTIVITY OF ETHIONAMIDE AND USES THEREOF EPX, PGLS, ENPEP KCNJ1 3272/4885CYP1A2 568/4885KDM4E 391/4885
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF P2RX3, P2RX4, P2RX7 KCNJ1 80/4885CYP1A2 1694/4885KDM4E 4662/4885
US-20190352302-A1 PYRAZOLO[3,4-B]PYRIDINES AND IMIDAZO[1,5-B]PYRIDAZINES AS PDE1 INHIBITORS PDE5A, PDE12, PDE3A KCNJ1 1477/4885CYP1A2 102/4885KDM4E 1115/4885
US-10689379-B2 Pyrazolo[3,4-B]pyridines and imidazo[1,5-B]pyridazines as PDE1 inhibitors PDE5A, PDE12, PDE3A KCNJ1 1477/4885CYP1A2 102/4885KDM4E 1115/4885
US-10351561-B2 Pyrazolo[3,4-b]pyridines and imidazo[1,5-b]pyridazines as PDE1 inhibitors PDE5A, PDE12, PDE3A KCNJ1 1477/4885CYP1A2 102/4885KDM4E 1115/4885
US-20180179200-A1 PYRAZOLO[3,4-b]PYRIDINES AND IMIDAZO[1,5-b]PYRIDAZINES AS PDE1 INHIBITORS PDE5A, PDE12, PDE3A KCNJ1 1477/4885CYP1A2 102/4885KDM4E 1115/4885

“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.