SCHEMBL20202870

SCHEMBL20202870

Cc1cnc(NC[C@H]2CCNCC2(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.38
CYP2D6 P10635 2/20 0.38
KCNH2 Q12809 2/20 0.38
LRRK2 Q5S007 1/20 0.37
PAK1 Q13153 3/20 0.36
PAK2 Q13177 2/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MAPK1 P28482 1/20 0.33
HCRTR1 O43613 1/20 0.31
CLK2 P49760 1/20 0.30
CLK3 P49761 1/20 0.30
DYRK1A Q13627 1/20 0.30
SSTR4 P31391 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL20189970 0.90 HRH4 (0.40) GRIN2BCYP2D6KCNH2PAK1PAK2
SCHEMBL20203108 0.88 LRRK2 (0.40) GRIN2BCYP2D6KCNH2LRRK2PAK1
SCHEMBL20203109 0.88 LRRK2 (0.40) GRIN2BCYP2D6KCNH2LRRK2PAK1
SCHEMBL20189218 0.85 GRIN2B (0.40) GRIN2BLRRK2PAK1PAK2JAK2
SCHEMBL20189215 0.85 GRIN2B (0.40) GRIN2BLRRK2PAK1PAK2JAK2
SCHEMBL18296935 0.85 GRIN2B (0.40) GRIN2BLRRK2PAK1PAK2JAK2
SCHEMBL20190554 0.84 KDM1A (0.39) GRIN2BCYP2D6KCNH2LRRK2HCRTR1
SCHEMBL20190555 0.84 KDM1A (0.39) GRIN2BCYP2D6KCNH2LRRK2HCRTR1
SCHEMBL20202800 0.84 LRRK2 (0.36) LRRK2MAPK1HCRTR1SSTR4
SCHEMBL20189541 0.84 GRIN2B (0.41) GRIN2BCYP2D6KCNH2LRRK2PAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-07-22 US disclosed
US-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-05-11 US disclosed
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2019-10-03 US disclosed
WO-2018098128-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2018-05-31 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 (4 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-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885CYP2D6 3997/4885KCNH2 2849/4885
US-20190298725-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885CYP2D6 3997/4885KCNH2 2849/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885CYP2D6 3997/4885KCNH2 2849/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B GRIN2B 3/4885CYP2D6 3997/4885KCNH2 2849/4885

“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.