SCHEMBL3461357

SCHEMBL3461357

O=C(NCCc1c[nH]cn1)c1cnccn1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 6/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ HPGD P15428 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL19051492 0.81 KMT2A (0.56) SMN1; SMN2KDM4ENPC1ALOX15RAB9A
SCHEMBL18381247 0.79 KMT2A (0.60) SMN1; SMN2NPC1ALOX15RAB9AKMT2A
SCHEMBL19051491 0.78 RAB9A (0.55) SMN1; SMN2KDM4ENPC1RAB9AKMT2A
SCHEMBL21820359 0.77 RAB9A (0.46) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL17473831 0.76 MMP9 (0.35) SMN1; SMN2KDM4ENPC1RAB9AKMT2A
SCHEMBL21820172 0.76 CNR1 (0.36) SMN1; SMN2KMT2AMEN1
SCHEMBL10674362 0.76 KDM4E (0.67) SMN1; SMN2KDM4ENPC1ALOX15RAB9A
SCHEMBL17473828 0.75 ST14 (0.36) SMN1; SMN2RAB9AKMT2AMEN1HPGD
SCHEMBL13734799 0.75 MAPT (0.33) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL1300262 0.73 MAPT (0.52) SMN1; SMN2NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 — — US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 — — 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 SMN1; SMN2 4557/4885KDM4E 1532/4885NPC1 4361/4885

“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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