SCHEMBL3568604

SCHEMBL3568604

CCCCNc1ccccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
KDM4E B2RXH2 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.50
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 1/20 0.43
NLRP3 Q96P20 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
BCHE P06276 1/20 0.41
TRPC3 Q13507 1/20 0.41
TRPC4 Q9UBN4 1/20 0.41
TRPC5 Q9UL62 1/20 0.41
XDH P47989 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL30528606 1.00 TSHR (0.56) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL4247250 0.95 TSHR (0.55) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL2122821 0.89 TSHR (0.58) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL10831722 0.88 TSHR (0.49) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL10330181 0.85 TSHR (0.46) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL10831309 0.82 KDM4E (0.47) TSHRKDM4EHPGDHSD17B10GAA
SCHEMBL7522731 0.82 KDM4E (0.54) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL27546031 0.81 KDM4E (0.50) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL6206235 0.81 TSHR (0.61) TSHRKDM4EHPGDHSD17B10L3MBTL1
SCHEMBL7522536 0.81 KDM4E (0.54) TSHRKDM4EHPGDHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP disclosed
WO-2022064075-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2022-03-31 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
US-7807691-B2 Substituted N-arylpyrrolidines as selective androgen receptor modulators ELI LILLY AND COMPANY (US) 2010-10-05 US disclosed
EP-1891038-B1 SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS LILLY CO ELI (US) 2008-10-29 EP disclosed
US-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators ELI LILLY AND COMPANY 2008-07-24 US disclosed
EP-1891038-A2 SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2008-02-27 EP disclosed
WO-2006124447-A2 SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-11-23 WO disclosed
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives OSI PHARMACEUTICALS, INC. 2002-12-19 US disclosed
US-6127541-A 8-((DISUBSTITUTED AMINO)BENZYLAMINO)-2,3-DIHYDRO-1H-IMIDAZO(4,5-G)QUINAZOLINE-(2-THIONE OR 2-ONE); SELECTIVE CYCLIC GUANOSINE 3',5' MONOPHOSPHATE (CGMP)--SPECIFIC PHOSPHODIESTERASE (PDE) INHIBITORY ACTIVITY KYOWA HAKKO KOGYO CO., LTD. (JP) 2000-10-03 US disclosed
EP-0863144-A1 IMIDAZOQUINAZOLINE DERIVATIVES Kyowa Hakko Co., Ltd. (JP) 1998-09-09 EP disclosed
US-3987192-A ANTIALLERGENS AND ANTIANAPHYLAXID; 2'-CYANO-OXANILIC ACID THE UPJOHN COMPANY (US) 1976-10-19 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 (3 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-20080176864-A1 Substituted N-Arylpyrrolidines as Selective Androgen Receptor Modulators AR, FSHR, SHBG TSHR 635/4885KDM4E 2955/4885HPGD 429/4885
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 TSHR 1575/4885KDM4E 3826/4885HPGD 1484/4885
US-20020193389-A1 Method of inhibiting neoplastic cells with imidazoquinazoline derivatives MKI67, HRAS, VHL TSHR 3983/4885KDM4E 2757/4885HPGD 394/4885

“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.