SCHEMBL3320704

SCHEMBL3320704

N#Cc1nnc(NC2CCNCC2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 1/20 0.38
▸ CTSL P07711 8/20 0.36
▸ CTSB P07858 8/20 0.36
▸ CTSS P25774 8/20 0.36
▸ CTSK P43235 8/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ CDK2 P24941 2/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ IRAK1 P51617 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ CHEK1 O14757 1/20 0.31

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
SCHEMBL3323448 0.72 HTT (0.42) NPC1RAB9ACYP1A2CYP2C19MAPK1
SCHEMBL14349528 0.70 NPC1 (0.55) NPC1RAB9ACYP1A2HSD17B10CLK4
SCHEMBL2822387 0.65 CTSK (0.43) NSD2CTSLCTSBCTSSCTSK
SCHEMBL5365116 0.64 HRH3 (0.36) CYP1A2CYP2C19HSD17B10CDK2CCNA2
SCHEMBL29763119 0.64 KDM4E (0.48) CTSLCTSBCTSSCTSKCYP1A2
SCHEMBL377685 0.63 CTSS (0.48) CTSLCTSBCTSSCTSKCYP1A2
Hydrochloric Acid SCHEMBL23302911 0.62 CTSS (0.47) CTSLCTSBCTSSCTSKCYP1A2
SCHEMBL1696851 0.62 HRH3 (0.41) CYP1A2CYP2C19HSD17B10CLK4CDK2
Hydrochloric Acid SCHEMBL383062 0.62 CTSS (0.47) CTSLCTSBCTSSCTSKCYP1A2
SCHEMBL4704528 0.62 HRH3 (0.44) NPC1CYP1A2HSD17B10CDK2CCNA2

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 9 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-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
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 NSD2 2394/4885CTSL 3275/4885CTSB 1661/4885

“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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