SCHEMBL6445730

SCHEMBL6445730

c1ccc(Nn2nccn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
TDP1 Q9NUW8 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CTSD P07339 1/20 0.39
CYP19A1 P11511 2/20 0.38
SLC6A2 P23975 2/20 0.38
TSHR P16473 2/20 0.38
PTGS2 P35354 2/20 0.38
ALOX12 P18054 2/20 0.38
ALOX15 P16050 1/20 0.38
PTGS1 P23219 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR2B P41595 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 2/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL30040622 0.73 KDM4E (0.44) CYP1A2TDP1ALDH1A1HSD17B10CTSD
Hydrochloric Acid SCHEMBL8402066 0.72 CYP1A2 (0.34) CYP1A2TDP1ALDH1A1HSD17B10CTSD
SCHEMBL825684 0.71 CYP1A2 (0.38) CYP1A2TDP1ALDH1A1HSD17B10CTSD
SCHEMBL4910993 0.67 IDO1 (0.34) CYP1A2TDP1ALDH1A1HSD17B10CTSD
SCHEMBL15570466 0.67 CYP1A2 (0.41) CYP1A2TDP1ALDH1A1HSD17B10CTSD
SCHEMBL9435418 0.65 ALDH1A1 (0.52) CYP1A2TDP1ALDH1A1HSD17B10CTSD
SCHEMBL2404117 0.64 CYP3A4 (0.45) CYP1A2TDP1ALDH1A1HSD17B10CYP19A1
SCHEMBL7982337 0.64 CYP26A1 (0.44) CYP1A2TDP1ALDH1A1HSD17B10CTSD
SCHEMBL2359099 0.64 CYP19A1 (0.41) CYP1A2TDP1ALDH1A1HSD17B10CTSD
SCHEMBL626632 0.63 ALDH1A1 (0.43) CYP1A2TDP1ALDH1A1HSD17B10CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
US-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 BRISTOL-MYERS SQUIBB COMPANY 2005-06-30 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 (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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 CYP1A2 2099/4885TDP1 2539/4885ALDH1A1 1376/4885
US-20050143384-A1 Amide thiadiazole inhibitors of plasminogen activator inhibitor-1 SERPINE1, SERPINC1, SERPINB1 CYP1A2 195/4885TDP1 855/4885ALDH1A1 212/4885

“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.