SCHEMBL5098191

SCHEMBL5098191

O=Cc1ccc2ncc3nccn3c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.38
CYP2A6 P11509 2/20 0.37
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
DYRK1A Q13627 3/20 0.32
DYRK1B Q9Y463 3/20 0.32
DYRK2 Q92630 2/20 0.32
DYRK3 O43781 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 2/20 0.31
MAPT P10636 2/20 0.31
GMNN O75496 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL4604365 0.85 MAP3K14 (0.32) DYRK1ADYRK1BCHEK1MAP4K4CSF1R
SCHEMBL4602967 0.76 ALK (0.38) DYRK1ADYRK1BCYP1A2CHEK1MAP4K4
SCHEMBL30973180 0.74 MAPK8 (0.47) FGFR1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL1417158 0.72 KDM4E (0.55) ALDH1A1KMT2ADYRK1ADYRK1BCDK9
SCHEMBL5050800 0.72 KCNJ1 (0.37) FGFR1CYP2A6ALDH1A1KMT2ADYRK1A
SCHEMBL9038736 0.69 KDM4E (0.47) ALDH1A1KMT2AMEN1DYRK1ADYRK1B
SCHEMBL21038788 0.69 CYP2A6 (0.42) FGFR1CYP2A6ALDH1A1KMT2AMEN1
SCHEMBL3590167 0.68 CYP2A6 (0.38) CYP2A6ALDH1A1KMT2AMEN1KDM4E
SCHEMBL3411245 0.66 CYP2A6 (0.50) FGFR1CYP2A6ALDH1A1KMT2AMEN1
SCHEMBL557320 0.65 ALDH1A1 (0.39) CYP2A6ALDH1A1KMT2AMEN1DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261974-A1 Novel Chemical Compounds DUFFY KEVIN J 2008-10-23 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-20080261974-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 FGFR1 3399/4885CYP2A6 4760/4885ALDH1A1 4004/4885

“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.