SCHEMBL3200570

SCHEMBL3200570

Cc1cccc(CN2Cc3ccccc3N=C2N)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.44
CTSD P07339 3/20 0.42
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
P2RX7 Q99572 2/20 0.33
PRMT5 O14744 2/20 0.33
WDR77 Q9BQA1 2/20 0.33
CCR3 P51677 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 1/20 0.33
COMT P21964 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
TRPC5 Q9UL62 1/20 0.32

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
SCHEMBL3214965 0.91 SIGMAR1 (0.48) SIGMAR1CTSDP2RX7PRMT5WDR77
SCHEMBL3215457 0.85 SIGMAR1 (0.48) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL3222976 0.82 CTSD (0.48) SIGMAR1CTSDCCR3NOS3NOS1
SCHEMBL3208472 0.81 SIGMAR1 (0.43) SIGMAR1CTSDP2RX7SMN1; SMN2BACE1
SCHEMBL3217215 0.80 SIGMAR1 (0.48) SIGMAR1CTSDP2RX7MEN1KMT2A
SCHEMBL3221511 0.80 SIGMAR1 (0.48) SIGMAR1CTSDNOS3NOS1NOS2
SCHEMBL3215576 0.79 SIGMAR1 (0.44) SIGMAR1CTSDMEN1KMT2A
SCHEMBL3197204 0.79 CTSD (0.45) SIGMAR1CTSDCCR3NOS3NOS1
Hydrochloric Acid SCHEMBL3210300 0.78 SIGMAR1 (0.43) SIGMAR1CTSDMEN1KMT2A
SCHEMBL4718285 0.78 CA2 (0.45) SIGMAR1CTSDMEN1KMT2ABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SIGMAR1 279/4885CTSD 3627/4885HCRTR1 110/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SIGMAR1 279/4885CTSD 3627/4885HCRTR1 110/4885

“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.