SCHEMBL18963653

SCHEMBL18963653

CNc1ncnc2cc[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.52
BRAF P15056 1/20 0.46
TNNI3K Q59H18 1/20 0.46
EGFR P00533 14/20 0.43
ERBB2 P04626 14/20 0.43
ERBB3 P21860 14/20 0.43
ERBB4 Q15303 14/20 0.43
YTHDC1 Q96MU7 1/20 0.41
YTHDF2 Q9Y5A9 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PDPK1 O15530 1/20 0.38

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
SCHEMBL4544706 0.75 EGFR (0.60) DYRK1AEGFRERBB2ERBB3ERBB4
SCHEMBL13186164 0.74 DYRK1A (0.59) DYRK1AIRAK4BRAFTNNI3KEGFR
SCHEMBL14747699 0.73 DYRK1A (0.53) DYRK1AIRAK4BRAFTNNI3KEGFR
SCHEMBL4544688 0.73 TTBK1 (0.64) EGFRERBB2ERBB3ERBB4PDPK1
SCHEMBL15500305 0.72 KDR (0.42) DYRK1AIRAK4CYP1A2CYP3A4CYP2D6
SCHEMBL15224219 0.72 DYRK1A (0.47) DYRK1AIRAK4BRAFTNNI3KEGFR
SCHEMBL4544686 0.72 LMNA (0.61) EGFRCYP1A2CYP2D6TSHR
SCHEMBL28346037 0.71 TTBK1 (0.59) PDPK1
SCHEMBL12709725 0.71 TTBK1 (0.59) PDPK1
SCHEMBL18194341 0.70 XDH (0.51) DYRK1AIRAK4TNNI3KYTHDC1YTHDF2

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-20170166571-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-06-15 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-20170166571-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS MTAP, PNP, UNG DYRK1A 4468/4885IRAK4 4081/4885BRAF 3976/4885

“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.