Bromide

Bromide

SCHEMBL22582181

Br.O=C(O)CN1CCC(NC(=O)c2n[nH]cc2NC(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4

The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK14 O94921 14/20 0.47
▸ CCNY Q8ND76 14/20 0.47
▸ CDK5 Q00535 3/20 0.46
▸ CCNT1 O60563 2/20 0.46
▸ CDK9 P50750 2/20 0.46
▸ CDK5R1 Q15078 2/20 0.46
▸ CDK4 P11802 2/20 0.46
▸ CDK2 P24941 2/20 0.46
▸ CASK O14936 1/20 0.46
▸ CDKL5 O76039 1/20 0.46
▸ CCNB2 O95067 1/20 0.46
▸ CDK1 P06493 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ MAK P20794 1/20 0.46
▸ CDK11B P21127 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ CCNE1 P24864 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ CLK1 P49759 1/20 0.46

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
SCHEMBL22594205 0.99 CDK14 (0.48) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL24757744 0.89 CDK14 (0.49) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL24710272 0.87 POLB (0.47) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL22582205 0.87 CDK5 (0.46) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL8262979 0.87 CDK5 (0.48) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL22582168 0.87 CDK14 (0.43) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL3936062 0.86 CDK14 (0.52) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL8262582 0.86 CDK5 (0.46) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL22582208 0.86 CDK5 (0.46) CDK14CCNYCDK5CCNT1CDK9
SCHEMBL8212911 0.86 CCNT1 (0.48) CDK14CCNYCDK5CCNT1CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114008058-B Prodrugs of CDK inhibitors for the treatment of cancer 润佳(苏州)医药科技有限公司 2024-07-05 — — CN disclosed
CN-111848579-B Prodrugs of 4- (2, 6-dichlorobenzoylamino) -N- (4-piperidinyl) -1H-pyrazole-3-carboxamide 君实润佳(上海)医药科技有限公司 2023-11-14 — — CN disclosed
US-11725020-B2 Prodrugs of a CDK inhibitor for treating cancers Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-08-15 — — US disclosed
US-20220204541-A1 PRODRUGS OF A CDK INHIBITOR FOR TREATING CANCERS SHANGHAI JUNSHI BIOSCIENCES CO., LTD. (CN) 2022-06-30 — — US disclosed
CN-114008058-A Prodrugs of CDK inhibitors for the treatment of cancer 润佳(苏州)医药科技有限公司 2022-02-01 — — CN disclosed
US-11225497-B2 Prodrugs of a CDK inhibitor for treating cancers Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2022-01-18 — — US disclosed
CN-111848579-A Prodrugs of 4- (2, 6-dichlorobenzamido) -N- (4-piperidinyl) -1H-pyrazole-3-carboxamide 润佳(苏州)医药科技有限公司 2020-10-30 — — CN disclosed
US-20200339615-A1 PRODRUGS OF A CDK INHIBITOR FOR TREATING CANCERS SHANGHAI JUNSHI BIOSCIENCES CO., LTD. (CN) 2020-10-29 — — US disclosed
WO-2020215156-A1 PRODRUGS OF A CDK INHIBITOR FOR TREATING CANCERS Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2020-10-29 — — 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 (4 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-11225497-B2 Prodrugs of a CDK inhibitor for treating cancers CDK3, CDK1, GSK3B CDK14 25/4885CCNY 44/4885CDK5 26/4885
US-20220204541-A1 PRODRUGS OF A CDK INHIBITOR FOR TREATING CANCERS CDK3, CDK1, GSK3B CDK14 25/4885CCNY 44/4885CDK5 26/4885
US-11725020-B2 Prodrugs of a CDK inhibitor for treating cancers CDK3, CDK1, GSK3B CDK14 25/4885CCNY 44/4885CDK5 26/4885
US-20200339615-A1 PRODRUGS OF A CDK INHIBITOR FOR TREATING CANCERS CDK3, CDK1, GSK3B CDK14 25/4885CCNY 44/4885CDK5 26/4885

“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.

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