SCHEMBL3321777

SCHEMBL3321777

FC(F)(F)c1csc(NC2CCNCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.46
▸ IDH1 O75874 1/20 0.43
▸ KCNH2 Q12809 3/20 0.42
▸ PLAT P00750 1/20 0.41
▸ BAZ2A Q9UIF9 1/20 0.41
▸ PIM1 P11309 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTR6 P50406 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ IDH2 P48735 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35

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
SCHEMBL23703358 0.91 IDH2 (0.45) MAPK1IDH1KCNH2PLATPIK3CA
SCHEMBL23703360 0.91 IDH2 (0.45) MAPK1IDH1KCNH2PLATPIK3CA
SCHEMBL13334977 0.80 BAZ2A (0.43) MAPK1KCNH2BAZ2APIM1NPC1
SCHEMBL3320533 0.72 ACHE (0.53) MAPK1RAB9ALMNAHRH3
SCHEMBL25140729 0.71 KCNH2 (0.52) KCNH2PIK3CANPC1RAB9AMEN1
SCHEMBL17498855 0.71 HCRTR2 (0.38) IDH1MEN1KMT2ALMNA
SCHEMBL25145928 0.70 PLAT (0.38) IDH1PLATPIM1HTR2C
SCHEMBL31728303 0.70 MAPK1 (0.46) MAPK1KCNH2PIK3CACYP1A2CYP2C19
SCHEMBL24529803 0.69 DYRK1A (0.52) MAPK1KCNH2HTR6
SCHEMBL3323448 0.69 HTT (0.42) MAPK1KCNH2NPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933101-B2 Thia(dia)zoles as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 — — US disclosed
US-8933101-B2 Thia(dia)zoles as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-01-13 — — US disclosed
US-20100120860-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A., (ES) 2010-05-13 — — US disclosed
US-20100120860-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN-CILAG S.A., (ES) 2010-05-13 — — US disclosed
CN-101663299-A Thia (dia) zoles as fast dissociating dopamine 2 receptor antagonists JANSSEN PHARMACEUTICA NV 2010-03-03 — — CN disclosed
EP-2148879-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-02-03 — — EP disclosed
WO-2008128996-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 — — 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-20100120860-A1 THIA(DIA)ZOLES AS FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS GRIN2A, DRD2, GRIN2C MAPK1 2194/4885IDH1 4859/4885KCNH2 1037/4885

“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.

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