SCHEMBL3608282

SCHEMBL3608282

Clc1cccc(Nc2nccc(-c3cccnc3NCCCN3CCOCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
GSK3B P49841 2/20 0.55
GSK3A P49840 1/20 0.55
CAMK2D Q13557 3/20 0.54
CDK1 P06493 2/20 0.54
CDK2 P24941 2/20 0.54
SMG1 Q96Q15 2/20 0.54
KDR P35968 1/20 0.53
CDK4 P11802 2/20 0.51
ABL1 P00519 3/20 0.51
BCR P11274 2/20 0.51
FLT3 P36888 1/20 0.49
NPC1 O15118 2/20 0.49
XBP1 P17861 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.49
CDK5 Q00535 2/20 0.49
CDK5R1 Q15078 2/20 0.49
CCNT1 O60563 1/20 0.49

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
SCHEMBL3608464 0.90 GSK3B (0.53) MAPTGSK3BGSK3ACAMK2DCDK1
SCHEMBL13698056 0.84 KDR (0.59) MAPTGSK3BGSK3ACAMK2DCDK1
SCHEMBL3607599 0.83 MAPT (0.48) MAPTCAMK2DCDK1CDK2SMG1
SCHEMBL3610465 0.82 CAMK2D (0.60) MAPTCAMK2DCDK1CDK2SMG1
SCHEMBL3603990 0.82 CAMK2D (0.60) MAPTCAMK2DCDK1CDK2SMG1
SCHEMBL3613553 0.82 CDK1 (0.67) MAPTCAMK2DCDK1CDK2SMG1
SCHEMBL3603917 0.82 ABL1 (0.50) MAPTCAMK2DCDK1CDK2SMG1
SCHEMBL3605884 0.82 CDK2 (0.53) MAPTCAMK2DCDK1CDK2SMG1
SCHEMBL3607630 0.81 CDK2 (0.47) MAPTGSK3BCAMK2DCDK1CDK2
SCHEMBL3612180 0.80 CAMK2D (0.69) MAPTCAMK2DCDK1CDK2SMG1

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 1424/4885GSK3B 3423/4885GSK3A 3293/4885

“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.