SCHEMBL17777936

SCHEMBL17777936

CCOC(=O)c1cn(C(C)(C)C)nc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
CSNK1D P48730 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL2671515 0.88 TSHR (0.41) TSHRADORA3ADORA2AADORA1BAZ2B
SCHEMBL21166073 0.84 TSHR (0.46) TSHRADORA3BAZ2BBAZ2ANPC1
SCHEMBL8784632 0.82 NPC1 (0.48) TSHRADORA3ADORA2AADORA1BAZ2B
SCHEMBL17658937 0.82 KMT2A (0.39) TSHRNPC1RAB9AMEN1KMT2A
SCHEMBL29255387 0.82 TSHR (0.41) TSHRADORA3ADORA2AADORA1BAZ2B
SCHEMBL5906668 0.81 TSHR (0.43) TSHRADORA3BAZ2BBAZ2AMEN1
SCHEMBL2671067 0.81 TSHR (0.43) TSHRADORA3ADORA2AADORA1BAZ2B
SCHEMBL23273667 0.81 NPC1 (0.49) TSHRBAZ2BBAZ2ANPC1RAB9A
SCHEMBL23289769 0.80 ALDH1A1 (0.49) TSHRADORA2ARAB9AKMT2AMAPT
SCHEMBL31352188 0.80 TSHR (0.42) TSHRADORA3BAZ2BBAZ2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12503439-B2 Heteroaryl compounds for the treatment of pain VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-23 US disclosed
CN-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 CN disclosed
EP-4511116-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
CN-114761397-B Benzodiazepine derivatives for the treatment of Respiratory Syncytial Virus (RSV) infection 辉瑞公司 2024-11-05 CN disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-23 US disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205463-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
US-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2023-06-15 US disclosed
US-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2023-06-15 US disclosed
US-20220409629-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING A RESPIRATORY SYNCYTIAL VIRUS (RSV) INFECTION PFIZER INC. 2022-12-29 US disclosed
EP-4048665-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING A RESPIRATORY SYNCYTIAL VIRUS (RSV) INFECTION Reviral Limited (GB) 2022-08-31 EP disclosed
CN-114761397-A Benzodiazepine derivatives for the treatment of Respiratory Syncytial Virus (RSV) infection 瑞威有限公司 2022-07-15 CN disclosed
WO-2021079121-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING A RESPIRATORY SYNCYTIAL VIRUS (RSV) INFECTION ReViral Limited (GB) 2021-04-29 WO disclosed
US-20170355699-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE ABBVIE INC. 2017-12-14 US disclosed
US-20170355699-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE ABBVIE INC. 2017-12-14 US disclosed
WO-2016081918-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2016-05-26 WO 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 (5 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-20170355699-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS TSHR 3988/4885ADORA3 4540/4885ADORA2A 3842/4885
US-20220409629-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING A RESPIRATORY SYNCYTIAL VIRUS (RSV) INFECTION GABRA1, GABRA3, CNR1 TSHR 120/4885ADORA3 153/4885ADORA2A 514/4885
US-20230373925-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 TSHR 3347/4885ADORA3 579/4885ADORA2A 548/4885
US-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS TSHR 3988/4885ADORA3 4540/4885ADORA2A 3842/4885
US-12503439-B2 Heteroaryl compounds for the treatment of pain TRPV1, SCN3A, KCNN3 TSHR 3347/4885ADORA3 579/4885ADORA2A 548/4885

“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.