SCHEMBL4154129

SCHEMBL4154129

CN(Cc1ccccc1)Cn1nnc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.59
GRM2 Q14416 2/20 0.59
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
MAPT P10636 1/20 0.56
PTK2 Q05397 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
APAF1 O14727 1/20 0.47
POLB P06746 1/20 0.47
EGLN3 Q9H6Z9 1/20 0.47
TSHR P16473 2/20 0.46
MGAM O43451 1/20 0.46
AMY1A P0DUB6 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46

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
SCHEMBL30467198 0.84 SLC9A1 (0.63) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL1675731 0.84 SLC9A1 (0.63) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL30965604 0.82 SLC9A1 (0.56) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL25034669 0.82 SLC9A1 (0.56) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL26814667 0.81 SLC9A1 (0.55) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL283984 0.80 SLC9A1 (0.65) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL3343750 0.78 SLC9A1 (0.57) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL15339462 0.78 SLC9A1 (0.53) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL30938327 0.77 SLC9A1 (0.54) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL29260063 0.77 SLC9A1 (0.54) SLC9A1GRM2RAB9ANPC1MAPT

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-9023860-B2 Pro-drugs for controlled release of biologically active compounds SIGNATURE THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
US-9023860-B2 Pro-drugs for controlled release of biologically active compounds SIGNATURE THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
US-9023860-B2 Pro-drugs for controlled release of biologically active compounds SIGNATURE THERAPEUTICS, INC. (US) 2015-05-05 US disclosed
WO-2013004984-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-10 WO disclosed
US-20090137618-A1 PRO-DRUGS FOR CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS 3I, LP 2009-05-28 US disclosed
US-20090137618-A1 PRO-DRUGS FOR CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS 3I, LP 2009-05-28 US disclosed
US-20090137618-A1 PRO-DRUGS FOR CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS 3I, LP 2009-05-28 US 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-20090137618-A1 PRO-DRUGS FOR CONTROLLED RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS CRH, FURIN, PEPD SLC9A1 2833/4885GRM2 2722/4885RAB9A 707/4885

“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.