SCHEMBL30685494

SCHEMBL30685494

Nc1nc(N)c(N=Nc2ccc(F)cc2)c(N)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.60
KMT2A Q03164 7/20 0.60
TDP1 Q9NUW8 4/20 0.60
POLB P06746 2/20 0.60
ATM Q13315 1/20 0.60
MEN1 O00255 6/20 0.57
RAB9A P51151 4/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
GFER P55789 1/20 0.57
MAPK1 P28482 3/20 0.49
CYP1A2 P05177 2/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 3/20 0.46
ALOX12 P18054 1/20 0.46
MGMT P16455 1/20 0.45
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.41
CA12 O43570 2/20 0.39

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
SCHEMBL10708407 0.80 MAPT (0.64) MAPTKMT2ATDP1POLBATM
SCHEMBL10708396 0.80 MAPT (0.64) MAPTKMT2ATDP1POLBATM
SCHEMBL13060594 0.77 MAPT (0.59) MAPTKMT2ATDP1POLBATM
SCHEMBL15014076 0.75 KMT2A (1.00) MAPTKMT2ATDP1POLBATM
SCHEMBL11121903 0.74 POLB (0.60) MAPTKMT2ATDP1POLBATM
SCHEMBL11121897 0.74 POLB (0.60) MAPTKMT2ATDP1POLBATM
SCHEMBL30440043 0.74 CYP1A2 (0.63) MAPTKMT2ATDP1POLBATM
SCHEMBL30219651 0.74 MAPT (0.60) MAPTKMT2ATDP1POLBATM
SCHEMBL31421925 0.74 CCNE1 (0.62) MAPTKMT2ATDP1POLBATM
SCHEMBL5114953 0.73 SLC22A2 (0.50) MAPTKMT2ATDP1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113297984-B Exhibition method and computing device for virtual reality exhibition hall 北京皮尔布莱尼软件有限公司 2024-02-27 CN claimed
US-12114658-B2 Compounds having a nitrogen-containing unsaturated six-membered ring and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2024-10-15 US disclosed
CN-113297984-B Exhibition method and computing device for virtual reality exhibition hall 北京皮尔布莱尼软件有限公司 2024-02-27 CN disclosed
EP-3828177-B1 PYRIDONE COMPOUND AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) 2023-11-29 EP 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-12114658-B2 Compounds having a nitrogen-containing unsaturated six-membered ring and agricultural and horticultural fungicides containing the same as active ingredients CYP51A1, NOS1, ERG28 MAPT 2313/4885KMT2A 2290/4885TDP1 3079/4885

“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.