Sugi Predict

Sugi Predict / Compounds / SCHEMBL207223

SCHEMBL207223

SCHEMBL207223

[CH]1CCCCN1c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 1/20 0.56
▸ ADRB2 P07550 1/20 0.41
▸ NCF1 P14598 1/20 0.41
▸ PLD1 Q13393 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ CYP2C19 P33261 2/20 0.35
▸ EED O75530 1/20 0.35
▸ BCHE P06276 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 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
SCHEMBL1968507 0.80 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL16620561 0.76 SORD (0.43) CHKATDP1L3MBTL1HRH3
SCHEMBL2646639 0.74 SORD (0.40) L3MBTL1DRD2LMNAALDH1A1
SCHEMBL3116626 0.74 PLD1 (0.46) PLD1CYP3A4CYP2C19MAPTALDH1A1
SCHEMBL4164157 0.73 SIGMAR1 (0.38) L3MBTL1CYP3A4MAPTNPSR1LMNA
SCHEMBL29507810 0.72 CHKA (0.48) CHKAADRB2NCF1PLD1TDP1
SCHEMBL49273 0.72 CHKA (1.00) CHKAADRB2NCF1PLD1TDP1
SCHEMBL10648775 0.70 CHKA (0.95) CHKAADRB2NCF1PLD1TDP1
SCHEMBL48987 0.70 CHKA (0.95) CHKAADRB2NCF1PLD1TDP1
SCHEMBL2205366 0.70 CHKA (0.95) CHKAADRB2NCF1PLD1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220373541-A1 Tri-functional Crosslinking Reagents ETH ZURICH (CH) 2022-11-24 — — US disclosed
US-11385225-B2 Tri-functional crosslinking reagents ETH ZURICH (CH) 2022-07-12 — — US disclosed
EP-3374348-B1 TRI-FUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2021-11-24 — — EP disclosed
US-10550093-B2 Third generation taxoids and methods of using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-02-04 — — US disclosed
US-20180328922-A1 TRI-FUNCTIONAL CROSSLINKING REAGENTS ETH ZURICH (CH) 2018-11-15 — — US disclosed
US-20180194744-A1 Third Generation Taxoids and Methods of Using Same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2018-07-12 — — US disclosed
US-9766235-B2 Trifunctional crosslinking reagents ETH ZURICH (CH) 2017-09-19 — — US disclosed
EP-2942351-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 — — EP disclosed
EP-2670755-B1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH ZUERICH (CH) 2016-10-12 — — EP disclosed
EP-2942351-A1 TRIFUNCTIONAL CROSSLINKING REAGENTS ETH Zurich (CH) 2015-11-11 — — EP disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 — — EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US disclosed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 — — EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 — — EP disclosed
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 — — US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 — — 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 (8 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-11385225-B2 Tri-functional crosslinking reagents ADGRF1, FCGR3B, FCGR2A CHKA 2363/4885ADRB2 2712/4885NCF1 1522/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R CHKA 4617/4885ADRB2 3409/4885NCF1 1191/4885
US-20180194744-A1 Third Generation Taxoids and Methods of Using Same CBR3, TUBB3, CBX3 CHKA 204/4885ADRB2 1348/4885NCF1 1666/4885
US-20220373541-A1 Tri-functional Crosslinking Reagents ADGRF1, SIGLEC7, ADGRE5 CHKA 1156/4885ADRB2 2211/4885NCF1 2279/4885
US-20180328922-A1 TRI-FUNCTIONAL CROSSLINKING REAGENTS ADGRF1, FCGR3B, FCGR2A CHKA 2363/4885ADRB2 2712/4885NCF1 1522/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CHKA 4617/4885ADRB2 3409/4885NCF1 1191/4885
US-10550093-B2 Third generation taxoids and methods of using same CBR3, TUBB3, CBX3 CHKA 204/4885ADRB2 1348/4885NCF1 1666/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 CHKA 4415/4885ADRB2 2706/4885NCF1 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.