SCHEMBL3608870

SCHEMBL3608870

CCc1c(-c2ccnc(Nc3cccc(Cl)c3)n2)ccnc1NCCCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.57
CSNK2A1 P68400 1/20 0.56
MAPT P10636 3/20 0.52
CDK4 P11802 2/20 0.52
CDK2 P24941 2/20 0.52
NPC1 O15118 2/20 0.52
XBP1 P17861 2/20 0.52
MAPK1 P28482 2/20 0.52
HTT P42858 2/20 0.52
RAB9A P51151 2/20 0.52
CDK5 Q00535 2/20 0.52
CDK5R1 Q15078 2/20 0.52
CCNT1 O60563 1/20 0.52
CDK1 P06493 1/20 0.52
CCNB1 P14635 1/20 0.52
CCNA2 P20248 1/20 0.52
CCND1 P24385 1/20 0.52
CCNE1 P24864 1/20 0.52
MTOR P42345 1/20 0.52
CDK7 P50613 1/20 0.52

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
SCHEMBL3602192 0.89 CAMK2D (0.58) CAMK2DCSNK2A1MAPTCDK4CDK2
SCHEMBL3603990 0.87 CAMK2D (0.60) CAMK2DCSNK2A1MAPTCDK4CDK2
SCHEMBL3602605 0.86 CDK2 (0.50) CAMK2DCSNK2A1MAPTCDK4CDK2
SCHEMBL3610465 0.85 CAMK2D (0.60) CAMK2DCSNK2A1MAPTCDK4CDK2
SCHEMBL3613864 0.82 CDK1 (0.61) CAMK2DCSNK2A1MAPTCDK4CDK2
SCHEMBL3612180 0.81 CAMK2D (0.69) CAMK2DCSNK2A1MAPTCDK4CDK2
SCHEMBL3608729 0.80 CSNK2A1 (0.62) CAMK2DCSNK2A1MAPTCDK4CDK2
SCHEMBL3610719 0.80 CAMK2D (0.54) CAMK2DCSNK2A1MAPTCDK4CDK2
SCHEMBL3609046 0.80 CDK1 (0.65) CAMK2DCSNK2A1MAPTCDK4CDK2
SCHEMBL3609491 0.79 CAMK2D (0.53) CAMK2DCSNK2A1MAPTCDK4CDK2

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 6 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
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
WO-2008079933-A2 HETEROARYL-HETEROARYL COMPOUNDS AS CDK INHIBITORS FOR THE TREATMENT OF CANCER, INFLAMMATION AND VIRAL INFECTIONS NOVARTIS AG (CH) 2008-07-03 WO 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 (2 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 CAMK2D 4474/4885CSNK2A1 4549/4885MAPT 1424/4885
US-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R CAMK2D 2961/4885CSNK2A1 3393/4885MAPT 3754/4885

“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.