SCHEMBL3607599

SCHEMBL3607599

O=C1CCCN1CCCNc1ncccc1-c1ccnc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MAPK1 P28482 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
XBP1 P17861 2/20 0.48
HTT P42858 2/20 0.48
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
CDK1 P06493 2/20 0.48
CDK2 P24941 2/20 0.48
SMG1 Q96Q15 2/20 0.48
CCNT1 O60563 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CCND1 P24385 1/20 0.48
CCNE1 P24864 1/20 0.48
MTOR P42345 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48

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
SCHEMBL3607608 0.90 MAPT (0.47) MAPTMAPK1NPC1RAB9AXBP1
SCHEMBL14556215 0.84 MKNK2 (0.53) MAPTMAPK1NPC1RAB9AXBP1
SCHEMBL3608282 0.83 MAPT (0.55) MAPTMAPK1NPC1RAB9AXBP1
SCHEMBL3613553 0.81 CDK1 (0.67) MAPTMAPK1NPC1RAB9AXBP1
SCHEMBL3610465 0.81 CAMK2D (0.60) MAPTMAPK1NPC1RAB9AXBP1
SCHEMBL3603990 0.81 CAMK2D (0.60) MAPTMAPK1NPC1RAB9AXBP1
SCHEMBL3603917 0.80 ABL1 (0.50) MAPTMAPK1NPC1RAB9AXBP1
SCHEMBL3605884 0.80 CDK2 (0.53) MAPTMAPK1NPC1RAB9AXBP1
SCHEMBL3615680 0.80 CDK2 (0.51) MAPTMAPK1NPC1RAB9AXBP1
SCHEMBL3607630 0.80 CDK2 (0.47) MAPTMAPK1NPC1RAB9AXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 US disclosed
US-20100048597-A1 Organic Compounds and Their Uses NOVARTIS AG 2010-02-25 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-20100048597-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 MAPT 1424/4885MAPK1 4817/4885NPC1 158/4885

“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.