SCHEMBL3696802

SCHEMBL3696802

CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(Cl)nc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 4/20 0.75
CDK2 P24941 13/20 0.69
CCNA2 P20248 11/20 0.69
CCNA1 P78396 10/20 0.69
CDK5 Q00535 9/20 0.69
DYRK1A Q13627 8/20 0.69
CDK5R1 Q15078 8/20 0.69
CDK9 P50750 7/20 0.69
CCNT1 O60563 6/20 0.69
CSNK1A1 P48729 5/20 0.69
GSK3A P49840 1/20 0.69
GSK3B P49841 1/20 0.69
CCNE1 P24864 7/20 0.68
CCNK O75909 2/20 0.68
CDK12 Q9NYV4 2/20 0.68
CDK4 P11802 1/20 0.68
CCNB1 P14635 1/20 0.68
CCND1 P24385 1/20 0.68
CDK7 P50613 1/20 0.68
CCNH P51946 1/20 0.68

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
SCHEMBL17628615 0.89 CDK1 (0.87) CDK1CDK2CCNA2CCNA1CDK5
SCHEMBL25299779 0.87 CDK1 (0.62) CDK1CDK2CCNA2CCNA1CDK5
SCHEMBL1400442 0.86 CDK1 (1.00) CDK1CDK2CDK5DYRK1ACDK9
SCHEMBL15372679 0.85 CDK2 (0.78) CDK1CDK2CCNA2CCNA1CDK5
SCHEMBL30332211 0.84 CDK1 (0.66) CDK1CDK2CCNA2CCNA1CDK5
SCHEMBL6152647 0.84 CDK1 (0.82) CDK1CDK2CCNA2CCNA1CDK5
SCHEMBL7889584 0.84 CDK2 (0.82) CDK1CDK2CCNA2CCNA1CDK5
SCHEMBL27144163 0.83 CDK1 (0.74) CDK1CDK2CCNA2CCNA1CDK5
SCHEMBL25308752 0.83 CCNK (0.68) CDK1CDK2CCNA2CCNA1CDK5
SCHEMBL3507625 0.83 DYRK1A (0.68) CDK1CDK2CCNA2CCNA1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2024-12-12 US disclosed
WO-2023059609-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 WO disclosed
EP-2187889-B1 USE OF PURINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT CENTRE NAT RECH SCIENT (FR) 2013-11-06 EP disclosed
US-8431583-B2 Use of purine derivatives for the manufacture of a medicament CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-04-30 US disclosed
US-8431583-B2 Use of purine derivatives for the manufacture of a medicament CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-04-30 US disclosed
US-20100311768-A1 USE OF PURINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-12-09 US disclosed
US-20100311768-A1 USE OF PURINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2010-12-09 US disclosed
WO-2010103473-A1 METHOD OF TREATMENT OF POLYCYSTIC DISEASES AND CHRONIC LYMPHOCYTIC LEUKEMIA CHU DE BREST (FR) 2010-09-16 WO disclosed
EP-2187889-A2 USE OF PURINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT Centre National De La Recherche Scientifique (FR) 2010-05-26 EP disclosed
WO-2009068761-A2 USE OF PURINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-06-04 WO disclosed
WO-2009068761-A2 USE OF PURINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-06-04 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-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE FGFR3, FGFR1, ERBB3 CDK1 20/4885CDK2 88/4885CCNA2 802/4885
US-20100311768-A1 USE OF PURINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT ENTPD5, HPRT1, P2RY1 CDK1 361/4885CDK2 942/4885CCNA2 714/4885

“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.