SCHEMBL5356546

SCHEMBL5356546

c1ncc2ccn(C3CCCC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.43
CDK4 P11802 5/20 0.43
CDK1 P06493 2/20 0.42
INSR P06213 1/20 0.42
PDGFRB P09619 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
CDK7 P50613 1/20 0.42
NTRK2 Q16620 1/20 0.42
MKNK2 Q9HBH9 2/20 0.40
PI4KA P42356 3/20 0.40
PI4K2B Q8TCG2 3/20 0.40
PI4K2A Q9BTU6 3/20 0.40
PI4KB Q9UBF8 3/20 0.40
ADORA2A P29274 3/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA1 P30542 2/20 0.40

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
SCHEMBL25958441 0.98 AURKA (0.44) AURKACDK4CDK1INSRPDGFRB
SCHEMBL2241217 0.93 MKNK2 (0.41) AURKACDK4CDK1INSRPDGFRB
SCHEMBL12984555 0.82 DGAT1 (0.42) AURKACDK4MKNK2DGAT1ALDH1A1
SCHEMBL25956967 0.80 ALDH1A1 (0.38) AURKACDK4CDK1INSRPDGFRB
SCHEMBL28122201 0.80 ABL1 (0.42) CDK1INSRSRCFLT4KDR
SCHEMBL25047342 0.78 PRMT5 (0.39) SRCKDRMKNK2PRMT5WDR77
SCHEMBL24110237 0.77 MKNK2 (0.39) CDK4MKNK2ALDH1A1CYP1A2CYP3A4
SCHEMBL25047326 0.77 ALDH1A1 (0.46) MKNK2PI4KAPI4K2BPI4K2API4KB
SCHEMBL25049095 0.77 PRMT5 (0.36) INSRPDGFRBSRCPDGFRAFLT1
SCHEMBL27575145 0.77 DRD2 (0.52)

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
EP-1989206-B1 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2012-07-04 EP disclosed
US-7271262-B2 Pyrrolopyrimidine derivatives PFIZER INC (US) 2007-09-18 US disclosed
US-20050037999-A1 Pyrrolopyrimidine derivatives PFIZER INC 2005-02-17 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-20050037999-A1 Pyrrolopyrimidine derivatives CCNA1, CCNT1, TP53 AURKA 592/4885CDK4 41/4885CDK1 39/4885

“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.