SCHEMBL5355503

SCHEMBL5355503

c1cc2cnc(C3CCCC3)nc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.42
JAK2 O60674 11/20 0.42
AURKA O14965 5/20 0.42
KDR P35968 5/20 0.42
FLT3 P36888 4/20 0.42
TYK2 P29597 7/20 0.41
PRKCA P17252 2/20 0.40
HPGDS O60760 1/20 0.40
JAK3 P52333 7/20 0.39
ALOX5AP P20292 4/20 0.39
FEN1 P39748 4/20 0.39
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL30406662 0.97 ALOX5AP (0.41) JAK1JAK2AURKAKDRFLT3
SCHEMBL25523073 0.97 ALOX5AP (0.41) JAK1JAK2AURKAKDRFLT3
SCHEMBL3134178 0.87 JAK2 (0.40) JAK1JAK2TYK2JAK3
SCHEMBL31251321 0.80 FAAH (0.36) JAK1JAK2TYK2JAK3
SCHEMBL4062743 0.74 AXL (0.32)
SCHEMBL28298844 0.73 AXL (0.33) JAK1JAK2
SCHEMBL6946172 0.72 PAK1 (0.35) JAK1JAK2AURKAKDRFLT3
SCHEMBL16113191 0.72 APP (0.32)
Hydrochloric Acid SCHEMBL6821627 0.71 PAK1 (0.34) JAK1JAK2AURKAKDRFLT3
SCHEMBL10600434 0.71 PAK1 (0.37) JAK1JAK2AURKAKDRFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 JAK1 341/4885JAK2 280/4885AURKA 592/4885

“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.