SCHEMBL3214965

SCHEMBL3214965

Cc1ccccc1CN1Cc2ccccc2N=C1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.48
CTSD P07339 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 2/20 0.41
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
MAPT P10636 1/20 0.40
CYP2A13 Q16696 1/20 0.38
CYP2C19 P33261 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
LMNA P02545 1/20 0.37
ACHE P22303 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TRPC5 Q9UL62 1/20 0.36

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
SCHEMBL3200570 0.91 SIGMAR1 (0.44) SIGMAR1CTSDKMT2AMEN1SMN1; SMN2
SCHEMBL3208472 0.87 SIGMAR1 (0.43) SIGMAR1CTSDSMN1; SMN2P2RX7LMNA
SCHEMBL3222976 0.86 CTSD (0.48) SIGMAR1CTSDKMT2AMEN1LMNA
SCHEMBL3215457 0.86 SIGMAR1 (0.48) SIGMAR1CTSDKMT2AMEN1SIRT1
SCHEMBL3221511 0.83 SIGMAR1 (0.48) SIGMAR1CTSDCYP2C19SIRT2SIRT1
SCHEMBL3217215 0.83 SIGMAR1 (0.48) SIGMAR1CTSDKMT2AMEN1SMN1; SMN2
SCHEMBL3197204 0.82 CTSD (0.45) SIGMAR1CTSDKMT2AMEN1SMN1; SMN2
SCHEMBL3215576 0.82 SIGMAR1 (0.44) SIGMAR1CTSDKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL3210300 0.81 SIGMAR1 (0.43) SIGMAR1CTSDKMT2AMEN1MAPT
SCHEMBL3221104 0.79 SIGMAR1 (0.57) SIGMAR1CTSDKMT2AMEN1LMNA

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 3627/4885KMT2A 3808/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C SIGMAR1 279/4885CTSD 3627/4885KMT2A 3808/4885

“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.