SCHEMBL3604664

SCHEMBL3604664

CCc1nc(NC(=N)N)sc1-c1cccc(N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.37
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 3/20 0.34
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
KMT2A Q03164 2/20 0.34
HDAC3 O15379 5/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC2 Q92769 5/20 0.34
HDAC10 Q969S8 5/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 2/20 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
SCHEMBL3606458 0.91 TRPM8 (0.36) TRPM8TSHRRECQLKDM4EALDH1A1
SCHEMBL3615259 0.89 HDAC3 (0.36) TRPM8TSHRRECQLSMN1; SMN2HDAC3
SCHEMBL3602639 0.88 HDAC3 (0.36) TRPM8HDAC3HDAC1HDAC2HDAC10
SCHEMBL3600336 0.85 CYP2D6 (0.37) KDM4EALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL3596697 0.84 XIAP (0.47) TSHRRECQLKDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7140582 0.82 XIAP (0.46) TSHRRECQLKDM4EALDH1A1SMN1; SMN2
SCHEMBL3601933 0.82 MAOA (0.44) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL3606784 0.81 ALDH1A1 (0.49) TRPM8TSHRKDM4EALDH1A1SMN1; SMN2
SCHEMBL10664409 0.80 PDE3B (0.40) KDM4EALDH1A1SMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL7138896 0.77 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN claimed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO claimed
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN disclosed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 TRPM8 2699/4885TSHR 166/4885RECQL 4288/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 TRPM8 2006/4885TSHR 2071/4885RECQL 2492/4885

“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.