SCHEMBL6001880

SCHEMBL6001880

C1=Cc2ccccc2SN=C1N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.40
ADRB1 P08588 5/20 0.40
HTR3A P46098 3/20 0.40
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
PLD1 Q13393 2/20 0.38
KDM4E B2RXH2 3/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
HTR6 P50406 2/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2C P28335 1/20 0.36
MAPK1 P28482 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
SCHEMBL1758811 0.69 HTR2C (0.47) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL10667836 0.69 HTT (0.36) KDM4EMAPTALDH1A1USP2HTT
SCHEMBL6400226 0.69 HTR3E (0.48) DRD2ADRB1HTR3AHTR3EHTR3B
SCHEMBL5637462 0.65 TRPA1 (0.31) MAPT
SCHEMBL9429035 0.64 TRPA1 (0.31)
SCHEMBL28445790 0.64 TRPA1 (0.31)
SCHEMBL11569287 0.63
SCHEMBL4418585 0.62 ADRB2 (0.35) ADRB1HTR3AHTR3EHTR3BHTR3D
Piperazine SCHEMBL11539275 0.61 HTR2C (0.46) ADRB1HTR3AHTR3EHTR3BHTR3D
SCHEMBL5001473 0.61 DRD2 (0.52) DRD2ADRB1HTR3AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP disclosed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP disclosed
US-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors SUGEN, INC. 2004-07-15 US disclosed
US-6596772-B1 Relates to trifluoromethyl sulfonyl and trifluoromethyl sulfonamido compounds and the physiologically acceptable salts and the prodrugs thereof. These compounds are expected to modulate the activity of protein tyrosine enzymes which are SUGEN, INC. 2003-07-22 US disclosed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 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 (1 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-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors PPP4C, PTPRO, PTPRS DRD2 4885/4885ADRB1 4665/4885HTR3A 4141/4885

“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.