SCHEMBL3607630

SCHEMBL3607630

Cc1nccn1CCCNc1ncccc1-c1ccnc(Nc2cccc(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.47
MAPT P10636 3/20 0.47
CDK4 P11802 2/20 0.47
NPC1 O15118 2/20 0.47
XBP1 P17861 2/20 0.47
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 2/20 0.47
CDK5 Q00535 2/20 0.47
CDK5R1 Q15078 2/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNT1 O60563 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
MTOR P42345 1/20 0.47
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
CCNH P51946 1/20 0.47

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
SCHEMBL3608858 0.86 AXL (0.41) CDK2MAPTCDK4NPC1XBP1
SCHEMBL3605884 0.84 CDK2 (0.53) CDK2MAPTCDK4NPC1XBP1
SCHEMBL3603917 0.83 ABL1 (0.50) CDK2MAPTCDK4NPC1XBP1
SCHEMBL3603990 0.82 CAMK2D (0.60) CDK2MAPTCDK4NPC1XBP1
SCHEMBL3613553 0.82 CDK1 (0.67) CDK2MAPTCDK4NPC1XBP1
SCHEMBL3610465 0.82 CAMK2D (0.60) CDK2MAPTCDK4NPC1XBP1
SCHEMBL3606678 0.82 PIK3CA (0.52) CDK2MAPTCDK4NPC1XBP1
SCHEMBL3613529 0.82 MAPT (0.54) CDK2MAPTCDK4NPC1XBP1
SCHEMBL3615680 0.81 CDK2 (0.51) CDK2MAPTCDK4NPC1XBP1
SCHEMBL3608282 0.81 MAPT (0.55) CDK2MAPTCDK4NPC1XBP1

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 CDK2 3078/4885MAPT 1424/4885CDK4 2775/4885

“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.