SCHEMBL5564478

SCHEMBL5564478

Clc1ccnc2c(Br)c(-c3ccccc3)nn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.47
CCNA2 P20248 5/20 0.40
CDK2 P24941 5/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CDK1 P06493 1/20 0.35
CDK4 P11802 1/20 0.35
CCNB1 P14635 1/20 0.35
CCND1 P24385 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 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
SCHEMBL5564715 0.76 AURKA (0.45) AURKACCNA2CDK2MAPTSMN1; SMN2
SCHEMBL14844903 0.71 AXL (0.42) AURKACCNA2CDK2MAPTSMN1; SMN2
SCHEMBL14557189 0.70 AURKA (0.43) AURKAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL3780252 0.69 RAB9A (0.59) MAPTSMN1; SMN2MAPK1ALDH1A1NPC1
SCHEMBL18190043 0.69 AURKA (0.39) AURKACCNA2CDK2MAPTSMN1; SMN2
SCHEMBL18190104 0.67 AURKA (0.43) AURKAMAPTSMN1; SMN2MAPK1ALDH1A1
SCHEMBL5375243 0.67 DPP4 (0.37) CCNA2CDK2MAPTSMN1; SMN2MAPK1
SCHEMBL5564110 0.66 NPC1 (0.60) AURKAMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL18004666 0.65 MAPT (0.51) AURKACCNA2CDK2MAPTSMN1; SMN2
SCHEMBL556037 0.63 KMT2A (0.52) AURKAMAPTSMN1; SMN2MAPK1ALDH1A1

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
EP-1504004-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP disclosed
US-20050203106-A1 Therapeutic compounds SMITHKLINE BEECHAM CORPORATION 2005-09-15 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-20050203106-A1 Therapeutic compounds ABCB1, PCSK9, ABCB11 AURKA 1984/4885CCNA2 2829/4885CDK2 1439/4885

“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.