SCHEMBL2977002

SCHEMBL2977002

Cc1ccc(-c2ncc3c(n2)CCCC3)nc1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.38
CDK5R1 Q15078 5/20 0.38
CCNA2 P20248 4/20 0.38
CDK2 P24941 4/20 0.38
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HDAC9 Q9UKV0 1/20 0.35
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
LMNA P02545 2/20 0.34
HTR2A P28223 1/20 0.34
POLB P06746 1/20 0.34
PIKFYVE Q9Y2I7 1/20 0.33
IGF1R P08069 1/20 0.33
KMT2A Q03164 1/20 0.33
AXL P30530 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2981724 0.86 CDK5 (0.44) CDK5CDK5R1CCNA2CDK2HTR2C
SCHEMBL4036579 0.85 CDK5 (0.38) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL2972887 0.85 CYP11B2 (0.41) CDK5CDK5R1CCNA2CDK2HTR2C
SCHEMBL2978113 0.85 CDK5 (0.36) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL3391196 0.84 HTR2A (0.36) HTR2CHTR2BLMNAHTR2APOLB
SCHEMBL13888934 0.81 TNF (0.37) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL27984643 0.80 HTR2C (0.44) CDK5CDK5R1CCNA2CDK2HTR2C
SCHEMBL13888932 0.79 NPC1 (0.36) IGF1RAXLMAPT
SCHEMBL2981102 0.77 CDK5 (0.43) CDK5CDK5R1CCNA2CDK2CDK1
SCHEMBL2985558 0.77 CDK5 (0.43) CDK5CDK5R1CCNA2CDK2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286175-A1 2-(Pyridin-2-yl)-pyrimidines and Their Use for Controlling Harmful Fungi GRAMMENOS WASSILIOS 2010-11-11 US disclosed
US-7786043-B2 2-(pyridin-2-yl)-pyrimidines and their use for controlling harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2010-08-31 US disclosed
EP-2172467-A1 2-(pyridin -2-yl)-pyrimidines and their use for controlling pathogenic fungi BASF SE (DE) 2010-04-07 EP disclosed
EP-2172466-A1 2-(pyridin-2-yl)-pyrimidines and use of same to combat hazardous fungi BASF SE (DE) 2010-04-07 EP disclosed
EP-2172465-A1 2-(pyridin -2-yl)-pyrimidines and their use for controlling pathogenic fungi BASF SE (DE) 2010-04-07 EP disclosed
EP-1773806-B1 2-(PYRIDIN-2-YL)-PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF SE (DE) 2010-02-24 EP disclosed
US-20080027085-A1 2-(Pyridin-2-Yl)-Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-01-31 US disclosed
EP-1773806-A1 2-(PYRIDIN-2-YL)-PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-04-18 EP disclosed
WO-2006010570-A1 2-(PYRIDIN-2-YL)-PYRIMIDINES AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-02-02 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-20080027085-A1 2-(Pyridin-2-Yl)-Pyrimidines and Their Use for Controlling Harmful Fungi CBR1, CBR3, CNPY2 CDK5 3167/4885CDK5R1 1389/4885CCNA2 167/4885
US-20100286175-A1 2-(Pyridin-2-yl)-pyrimidines and Their Use for Controlling Harmful Fungi CBR1, CBR3, CNPY2 CDK5 3058/4885CDK5R1 1539/4885CCNA2 140/4885

“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.