SCHEMBL18861122

SCHEMBL18861122

Nc1ccc(-c2c(Cl)ccnc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
ADK P55263 4/20 0.43
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMO O15229 1/20 0.36
MAP4K4 O95819 1/20 0.36
BRD4 O60885 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
SCHEMBL30782560 0.88 IKBKB (0.44) ADKALDH1A1TP53CYP3A4TDP1
SCHEMBL28145719 0.84 ADORA2A (0.41) AURKAADKALDH1A1TDP1NPC1
SCHEMBL30782544 0.80 DYRK1A (0.50) KDRADKALDH1A1NPC1RAB9A
SCHEMBL624894 0.78 LTA4H (0.46) KDRNPC1RAB9A
SCHEMBL18860900 0.78 NOS2 (0.54) KDRAURKAAURKBADKALDH1A1
SCHEMBL18860442 0.75 EPHB4 (0.42) ALDH1A1CYP3A4KMOMAP4K4EPHB4
SCHEMBL18860366 0.72 EPHB4 (0.39) KDRAURKAAURKBALDH1A1CYP3A4
SCHEMBL15333807 0.72 FYN (0.47) KDRAURKAAURKBALDH1A1TP53
SCHEMBL14055104 0.72 CYP3A4 (0.48) ADKALDH1A1TP53CYP3A4TDP1
SCHEMBL559525 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002277-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-01-06 US disclosed
US-11208403-B2 Pyridone derivatives having tetrahydropyranylmethyl groups DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-12-28 US disclosed
EP-3168219-B1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYL METHYL GROUP DAIICHI SANKYO CO LTD (JP) 2021-03-31 EP disclosed
US-10442797-B2 Pyridone derivatives having tetrahydropyranylmethyl groups DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-10-15 US disclosed
US-20180148436-A2 PYRIDONE DERIVATIVES HAVING TETRAHYDROPYRANYLMETHYL GROUPS DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-05-31 US disclosed
US-20180148436-A2 PYRIDONE DERIVATIVES HAVING TETRAHYDROPYRANYLMETHYL GROUPS DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-05-31 US disclosed
US-20170183329-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP DAIICHI SANKYO CO LTD (JP) 2017-06-29 US disclosed
US-20170183329-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP DAIICHI SANKYO CO LTD (JP) 2017-06-29 US disclosed
EP-3168219-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYL METHYL GROUP DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-05-17 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 (5 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-20220002277-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP AXL, TYRO3, LCK KDR 462/4885AURKA 845/4885AURKB 872/4885
US-10442797-B2 Pyridone derivatives having tetrahydropyranylmethyl groups AXL, TYRO3, PDXK KDR 521/4885AURKA 1188/4885AURKB 698/4885
US-20170183329-A1 PYRIDONE DERIVATIVE HAVING TETRAHYDROPYRANYLMETHYL GROUP AXL, TYRO3, PDXK KDR 506/4885AURKA 1253/4885AURKB 722/4885
US-11208403-B2 Pyridone derivatives having tetrahydropyranylmethyl groups AXL, TYRO3, PDXK KDR 521/4885AURKA 1188/4885AURKB 698/4885
US-20180148436-A2 PYRIDONE DERIVATIVES HAVING TETRAHYDROPYRANYLMETHYL GROUPS AXL, TYRO3, PDXK KDR 521/4885AURKA 1188/4885AURKB 698/4885

“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.