SCHEMBL1991834

SCHEMBL1991834

N#Cc1cnn2cc(Br)cnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.53
KDM4E B2RXH2 11/20 0.45
ALDH1A1 P00352 8/20 0.45
KDR P35968 2/20 0.41
ABL1 P00519 1/20 0.41
KDM4D Q6B0I6 1/20 0.40
CLK4 Q9HAZ1 2/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 3/20 0.35
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GLA P06280 1/20 0.35
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL9728946 0.79 CDK2 (0.53) CDK2KDM4EALDH1A1KDRABL1
SCHEMBL3754835 0.75 PRKAB2 (0.54) CDK2ALDH1A1KDRABL1CLK4
SCHEMBL14820098 0.75 CDK2 (0.49) CDK2KDM4EALDH1A1KDRABL1
SCHEMBL26622012 0.75 CDK2 (0.49) CDK2KDM4EALDH1A1KDRABL1
SCHEMBL25097590 0.75 KDM4E (0.51) CDK2KDM4EALDH1A1KDRABL1
SCHEMBL19761084 0.74 CDK2 (0.37) CDK2KDM4EALDH1A1KDRABL1
SCHEMBL12613502 0.73 KDR (0.55) CDK2KDM4EALDH1A1KDRKDM4D
SCHEMBL25222640 0.73 KDR (0.46) KDRPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL25209931 0.72 CDK2 (0.46) CDK2KDM4EALDH1A1KDRABL1
SCHEMBL13960990 0.72 KDR (0.37) CDK2KDM4EALDH1A1KDRCLK4

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-20250115569-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LTD (GB) 2025-04-10 US disclosed
EP-4436955-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS Lario Therapeutics Limited (GB) 2024-10-02 EP disclosed
CN-118317950-A Sulfonamide compounds for the treatment of neurological disorders 拉里奥治疗有限公司 2024-07-09 CN disclosed
WO-2023214325-A1 PYRAZOLOPYRIMIDINE DERIVATIVES AND USES THEREOF AS TET2 INHIBITORS NOVARTIS AG (CH) 2023-11-09 WO disclosed
WO-2023094830-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS LARIO THERAPEUTICS LIMITED (GB) 2023-06-01 WO disclosed
EP-2513102-B1 ETHYNYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-08-19 EP disclosed
US-8933094-B2 Ethynyl compounds useful for treatment of CNS disorder HOFFMANN-LA ROCHE INC. (US) 2015-01-13 US disclosed
US-20140073638-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER HOFFMANN-LA ROCHE INC. (US) 2014-03-13 US disclosed
US-8586581-B2 Ethynyl compounds useful for treatment of CNS disorders Hoffmann-La Roche Inc (US) 2013-11-19 US disclosed
EP-2513102-A1 ETHYNYL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
WO-2011073172-A1 ETHYNYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS HOFFMANN-LA ROCHE, INC. 2011-06-23 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 (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-20250115569-A1 SULFONAMIDE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL CONDITIONS CACNA1A, CACNA1E, CACNA1S CDK2 439/4885KDM4E 2441/4885ALDH1A1 3306/4885
US-20110152257-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDERS GRM5, GRIK5, GRM1 CDK2 3871/4885KDM4E 1409/4885ALDH1A1 3951/4885
US-20140073638-A1 ETHYNYL COMPOUNDS USEFUL FOR TREATMENT OF CNS DISORDER GRM5, GRIK5, GRM1 CDK2 3970/4885KDM4E 1296/4885ALDH1A1 3949/4885

“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.