SCHEMBL21235945

SCHEMBL21235945

CS(=O)(=O)NC(=O)C1CCNC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
PMP22 Q01453 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38
SLC6A1 P30531 2/20 0.37
SLC6A11 P48066 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
SCHEMBL15082266 1.00 TSHR (0.38) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL30803944 0.89 SLC6A1 (0.52) TSHRSLC6A1SLC6A11LMNASMN1; SMN2
SCHEMBL3223892 0.89 POLB (0.47) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL17294409 0.84 CHRNB2 (0.39)
Urea SCHEMBL4201729 0.84 POLB (0.43) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL15082182 0.81 KDM4E (0.40) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL26790097 0.80 TSHR (0.36) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL30466711 0.80 TSHR (0.36) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL23105808 0.78 CCNT1 (0.33) TSHRGABRPGABRDGABRA1GABRB1
Trifluoroacetic Acid SCHEMBL28974434 0.78 GABRA1 (0.40) TSHRGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111417635-B Pyrazolopyrimidines with anti-Respiratory Syncytial Virus (RSV) activity 爱尔兰詹森科学公司 2024-01-02 CN disclosed
US-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) Janssen Sciences Ireland Unlimited Company (IE) 2022-05-24 US disclosed
EP-3717486-B1 PYRAZOLOPYRIMIDINES HAVING ACTIVITY AGAINST THE RESPIRATORY SYNCYTIAL VIRUS (RSV) JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-03-23 EP disclosed
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-12-16 US disclosed
WO-2020228649-A1 SUBSTITUTED PHENYLPROPENYLPYRIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2020-11-19 WO disclosed
EP-3478680-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION HOFFMANN LA ROCHE (CH) 2020-04-22 EP disclosed
US-20190241559-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION HOFFMANN-LA ROCHE INC. (US) 2019-08-08 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-11339165-B2 Pyrazolopyrimidines having activity against the respiratory syncytial virus (RSV) RRP15, MAVS, ACE TSHR 3197/4885GABRP 2288/4885GABRD 4280/4885
US-20190241559-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HBV INFECTION TYMP, RECQL, DPYD TSHR 2416/4885GABRP 2789/4885GABRD 2257/4885
US-20210386721-A1 SUBSTITUTED PHENYLPROPENYL PYRIDINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL APPLICATIONS PDCD1, CD274, PDCD1LG2 TSHR 2885/4885GABRP 532/4885GABRD 1856/4885

“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.