SCHEMBL22273628

SCHEMBL22273628

c1cc(-c2ccc3ncn(-c4ccc5nc[nH]c5c4)c3c2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP3K8 P41279 9/20 0.58
QPCT Q16769 5/20 0.48
QPCTL Q9NXS2 1/20 0.48
AOC2 O75106 1/20 0.46
PRKCI P41743 2/20 0.42
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PIK3CA P42336 1/20 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
SCHEMBL18609692 0.91 MAP3K8 (0.49) MAP3K8QPCTQPCTLAOC2PRKCI
SCHEMBL7021141 0.82 QPCT (0.66) MAP3K8QPCTQPCTLAOC2PRKCI
SCHEMBL38665709 0.82 QPCT (0.66) MAP3K8QPCTQPCTLAOC2PRKCI
SCHEMBL18609345 0.77 FGFR1 (0.56) CYP1A2POLBCYP3A4CYP2D6MAPT
SCHEMBL18584429 0.75 PTGS2 (0.57) CYP1A2POLBCYP3A4CYP2D6MAPT
SCHEMBL18584473 0.75 ATM (0.56) CYP1A2POLBCYP3A4CYP2D6MAPT
SCHEMBL18584395 0.75 FGFR1 (0.48) HTTPIK3CA
SCHEMBL18584369 0.74 CYP1A2 (0.45) CYP1A2POLBCYP3A4CYP2D6MAPT
SCHEMBL18584365 0.74 KDR (0.61) CYP1A2MAPTHTTPIK3CA
SCHEMBL18609178 0.74 DYRK1A (0.65) QPCTPRKCICYP1A2POLBCYP3A4

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-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-04 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-10730842-B2 Small molecule inhibitors of DYRK1A and uses thereof DYRK1A, DYRK2, DYRK1B MAP3K8 33/4885QPCT 3627/4885QPCTL 3916/4885

“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.