SCHEMBL733008

SCHEMBL733008

c1ccc(C(c2ccccc2)c2ccncc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 1.00
SLC6A2 P23975 4/20 1.00
SLC6A4 P31645 4/20 1.00
CFTR P13569 1/20 0.62
GOPC Q9HD26 1/20 0.62
CYP19A1 P11511 3/20 0.58
NOTUM Q6P988 1/20 0.50
GAA P10253 1/20 0.48
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42

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
Ammonia Solution, Strong SCHEMBL5999715 0.97 SLC6A3 (0.95) SLC6A3SLC6A2SLC6A4CFTRGOPC
SCHEMBL29361168 0.88 SLC6A2 (0.78) SLC6A3SLC6A2SLC6A4CFTRGOPC
SCHEMBL11535640 0.87 CYP19A1 (0.83) SLC6A3SLC6A2SLC6A4CFTRGOPC
Sulfuric Acid SCHEMBL11540575 0.87 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4CFTRGOPC
Sulfuric Acid SCHEMBL11540571 0.87 SLC6A3 (0.75) SLC6A3SLC6A2SLC6A4CFTRGOPC
SCHEMBL10038666 0.87 SLC6A2 (0.75) SLC6A3SLC6A2SLC6A4CFTRGOPC
SCHEMBL14393365 0.87 SLC6A2 (0.75) SLC6A3SLC6A2SLC6A4CFTRGOPC
SCHEMBL11540603 0.83 SLC6A3 (0.69) SLC6A3SLC6A2SLC6A4CFTRGOPC
Hydrochloric Acid SCHEMBL28863932 0.82 SLC6A2 (0.68) SLC6A3SLC6A2SLC6A4CFTRGOPC
Hydrochloric Acid SCHEMBL28268728 0.82 SLC6A2 (0.68) SLC6A3SLC6A2SLC6A4CFTRGOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110477-A2 SYNTHESIS OF A CYCLIC PEPTIDE JANSSEN PHARMACEUTICA NV (BE) 2024-05-30 WO claimed
WO-2024042448-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF RUXOLITINIB GRANULES INDIA LIMITED (IN) 2024-02-29 WO claimed
EP-3985008-A1 PROCESSES AND INTERMEDIATES FOR MAKING A JAK INHIBITOR Incyte Holdings Corporation (US) 2022-04-20 EP claimed
CN-111875607-B Preparation method of chiral pyrrolopyrimidine compound 正大天晴药业集团股份有限公司 2021-12-03 CN claimed
US-20210253584-A1 Processes for Preparing Jak Inhibitors and Related Intermediate Compounds INCYTE HOLDINGS CORPORATION 2021-08-19 US claimed
EP-3398952-B1 SYNTHESIS PROCESS OF RUXOLITINIB CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-07-14 EP claimed
EP-3473625-B1 PREPARATION METHOD FOR CHIRAL PYRROLOPYRIMIDINE COMPOUND CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2021-06-02 EP claimed
CN-111875607-A Preparation method of chiral pyrrolopyrimidine compound 正大天晴药业集团股份有限公司 2020-11-03 CN claimed
US-10766901-B2 Preparation method for chiral pyrrolopyrimidine compound CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2020-09-08 US claimed
CN-109311892-B Preparation method of chiral pyrrolopyrimidine compound 正大天晴药业集团股份有限公司 2020-09-04 CN claimed
WO-1998033786-A1 ACCELERATED CATALYSIS OF OLEFINIC EPOXIDATIONS THE SCRIPPS RESEARCH INSTITUTE (US) 1998-08-06 WO claimed
EP-0474789-B1 CYSTEINE THIOL-PROTECTED PEPTIDES FOR USE IN IMMUNOASSAYS GENETIC SYSTEMS CORP (US) 1998-01-28 EP claimed
EP-0788487-A1 PROCESS FOR THE PREPARATION OF TETRAZOLES Novartis AG (CH) 1997-08-13 EP claimed
WO-1996013489-A1 PROCESS FOR THE PREPARATION OF TETRAZOLES NOVARTIS AG (CH) 1996-05-09 WO claimed
US-5439792-A Synthesizing a cyclic viral protein epitope GENETIC SYSTEMS CORPORATION (US) 1995-08-08 US claimed
US-5360928-A Synthesis and use of amino acid fluorides as peptide coupling reagents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-11-01 US claimed
EP-0474789-A4 CYSTEINE THIOL-PROTECTED PEPTIDES FOR USE IN IMMUNOASSAYS 1992-06-03 EP claimed
EP-0474789-A1 CYSTEINE THIOL-PROTECTED PEPTIDES FOR USE IN IMMUNOASSAYS GENETIC SYSTEMS CORPORATION (US) 1992-03-18 EP claimed
WO-1990015071-A1 CYSTEINE THIOL-PROTECTED PEPTIDES FOR USE IN IMMUNOASSAYS GENETIC SYSTEMS CORPORATION (US) 1990-12-13 WO claimed
US-4009087-A N-HETERO AROMATIC, AND SULFOALKYL OR SULFOARYL SULFIDE M&T CHEMICALS INC. (US) 1977-02-22 US 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 (2 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-20210253584-A1 Processes for Preparing Jak Inhibitors and Related Intermediate Compounds JAK3, JAK1, JAK2 SLC6A3 4292/4885SLC6A2 4861/4885SLC6A4 4762/4885
US-10766901-B2 Preparation method for chiral pyrrolopyrimidine compound DHPS, DPYD, MPHOSPH6 SLC6A3 3549/4885SLC6A2 3200/4885SLC6A4 2558/4885

“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.