SCHEMBL315880

SCHEMBL315880

[c]1csc(-c2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.43
KDM4E B2RXH2 1/20 0.37
AR P10275 1/20 0.37
KMT2A Q03164 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
SREBF2 Q12772 1/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
CASP3 P42574 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 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
SCHEMBL5544382 0.96 PDPK1 (0.41) PDPK1KDM4EARKMT2AADORA3
SCHEMBL2546824 0.80 LMNA (0.42) KDM4EARKMT2AALDH1A1POLB
SCHEMBL208797 0.78 GFER (0.42) KDM4EKMT2AADORA3ADORA2AADORA2B
SCHEMBL20582831 0.78 CYP19A1 (0.41) KDM4EKMT2AALDH1A1POLBRAB9A
SCHEMBL5539570 0.78 RAB9A (0.41) KDM4EKMT2AALDH1A1RAB9ANPC1
SCHEMBL695005 0.78 KDM4E (0.41) KDM4EARKMT2AALDH1A1POLB
SCHEMBL355117 0.78 CYP2A6 (0.53) KDM4EALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL14562911 0.77 NPC1 (0.39) PDPK1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL694798 0.77 KDM4E (0.47) KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL7507911 0.77 CYP19A1 (0.42) KMT2AALDH1A1POLBRAB9ANPC1

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 676 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
EP-3720858-B1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARM INC (US) 2023-06-07 EP claimed
EP-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 EP claimed
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 CN claimed
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2022-12-15 US claimed
US-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2021-03-30 US claimed
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. 2020-12-10 US claimed
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA CALIFORNIA, INC. 2020-12-03 US claimed
EP-3720858-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2020-10-14 EP claimed
CN-111699189-A Modulators of beta-3 adrenergic receptors useful for the treatment or prevention of heart failure and disorders associated therewith 艾尼纳制药公司 2020-09-22 CN claimed
US-4824833-A ANTIDIABETIC AGENTS TANABE SEIYAKU CO., LTD. (JP) 1989-04-25 US claimed
CN-1003712-B Process for preparing 6- (1-acyl-1-hydroxymethyl or acetoxymethyl) penicillanic acid derivatives 美国辉瑞有限公司 1989-03-29 CN claimed
EP-0301813-A1 Naphthalenepropionic acid derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1989-02-01 EP claimed
EP-0146370-B1 IMIDAZOQUINOLINES CONTAINING OTHER HETEROCYCLIC GROUPS JOHN WYETH & BROTHER LIMITED (GB) 1988-10-19 EP claimed
EP-0283036-A1 Benzoxazine derivatives and processes for preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1988-09-21 EP claimed
US-4762921-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1988-08-09 US claimed
US-4675186-A 6-(1-acyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1987-06-23 US claimed
EP-0201221-A1 6-(1-acyl-1-hydroxy methyl) penicillanic acid derivatives PFIZER INC. (US) 1986-11-12 EP claimed
CN-86102736-A The preparation method and the application thereof of 6-(1-acyl group-1-methylol) penicillanic acid derivative 1986-10-15 CN claimed
EP-0146370-A2 Imidazoquinolines containing other heterocyclic groups JOHN WYETH & BROTHER LIMITED (GB) 1985-06-26 EP claimed

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-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ADRB3, ADRB1, ADRB2 PDPK1 2435/4885KDM4E 4728/4885AR 799/4885
US-20200375969-A1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 GPR6, GPR3, GPR68 PDPK1 2316/4885KDM4E 2204/4885AR 267/4885
US-10959986-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT PDPK1 595/4885KDM4E 485/4885AR 1544/4885
US-20200385395-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 PDPK1 2580/4885KDM4E 4739/4885AR 808/4885
US-20220396579-A1 MODULATORS OF THE BETA-3 ADRENERGIC RECEPTOR USEFUL FOR THE TREATMENT OR PREVENTION OF HEART FAILURE AND DISORDERS RELATED THERETO ADRB3, ADRB1, ADRB2 PDPK1 2580/4885KDM4E 4739/4885AR 808/4885

“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.