SCHEMBL17844189

SCHEMBL17844189

COc1ccc(-n2ccnc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
HTT P42858 2/20 0.45
FGFR1 P11362 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP19A1 P11511 1/20 0.44
XDH P47989 1/20 0.43
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL17861288 0.81 ALDH1A1 (0.54) MAPTALDH1A1PI4KAPI4K2BPI4K2A
SCHEMBL10902105 0.80 CYP3A4 (0.66) MAPTALDH1A1HTTCYP1A2CYP2C9
SCHEMBL17844061 0.79 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL5387033 0.79 MKNK1 (0.46) MAPTALDH1A1SMN1; SMN2HTTFGFR1
SCHEMBL8511275 0.79 HTT (0.45) MAPTALDH1A1SMN1; SMN2PI4KAPI4K2B
SCHEMBL6598961 0.79 CYP1A2 (0.47) MAPTALDH1A1SMN1; SMN2PI4KAPI4K2B
SCHEMBL22309911 0.78 CYP1A2 (0.44) MAPTALDH1A1SMN1; SMN2PI4KAPI4K2B
SCHEMBL11771718 0.77 KDR (0.49) ALDH1A1SMN1; SMN2HTTCYP1A2CYP2C9
SCHEMBL17596915 0.77 HTT (0.41) MAPTALDH1A1SMN1; SMN2PI4KAPI4K2B
SCHEMBL11382721 0.76 CYP1A2 (0.49) MAPTALDH1A1HTTCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117377668-A Inhalant formulations of PGDH inhibitors and methods of use thereof 迈欧伏特治疗公司 2024-01-09 CN disclosed
CN-115335043-A PGDH inhibitors and methods of making and using 迈欧伏特治疗公司 2022-11-11 CN disclosed
CN-107105657-B Molecules having pesticidal utility, and intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-03-03 CN disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
EP-3232788-B1 TRIAZOLES DERIVATIVES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-12 EP disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
US-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC 2017-12-21 US disclosed
EP-3232788-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2017-10-25 EP disclosed
CN-107105657-A Molecule and relative intermediate, composition and method with desinsection effectiveness 美国陶氏益农公司 2017-08-29 CN disclosed
WO-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 WO disclosed
WO-2016099929-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-06-23 WO 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-20170360045-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 MAPT 3341/4885ALDH1A1 448/4885SMN1; SMN2 3681/4885

“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.